 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer001_STD_B3LYPDBJ_def2SVPD.in
 Output=08_d-glucose_conformer001_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-17505.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     17506.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer001_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:10:15 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer001_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.639995000000      1.210425000000     -0.197110000000
  C                                                -1.660478000000      0.161160000000      0.197504000000
  C                                                 0.736747000000      0.795510000000      0.286144000000
  C                                                 1.079369000000     -0.604203000000     -0.228054000000
  O                                                 0.067145000000     -1.517619000000      0.198419000000
  C                                                -1.216562000000     -1.213556000000     -0.304644000000
  O                                                -0.922508000000      2.483202000000      0.369953000000
  H                                                -0.621099000000      1.285662000000     -1.292336000000
  O                                                -2.907145000000      0.541846000000     -0.359981000000
  H                                                -1.721531000000      0.118750000000      1.294206000000
  H                                                 0.727111000000      0.765851000000      1.383318000000
  O                                                 1.732438000000      1.706543000000     -0.165282000000
  C                                                 2.410891000000     -1.123511000000      0.302675000000
  H                                                 1.126892000000     -0.582940000000     -1.324712000000
  O                                                -2.103572000000     -2.214928000000      0.095778000000
  H                                                -1.218810000000     -1.228110000000     -1.401446000000
  H                                                -1.811275000000      2.739925000000      0.096905000000
  H                                                -3.533704000000     -0.176051000000     -0.206287000000
  H                                                 1.430942000000      2.597378000000      0.052923000000
  O                                                 3.515463000000     -0.471377000000     -0.290315000000
  H                                                 2.491301000000     -2.182395000000      0.056578000000
  H                                                 2.421925000000     -1.030336000000      1.397090000000
  H                                                -1.970048000000     -2.365618000000      1.041455000000
  H                                                 3.363901000000      0.481596000000     -0.225378000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:10:16 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922508    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541846   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123511    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811275    2.739925    0.096905
     18          1           0       -3.533704   -0.176051   -0.206287
     19          1           0        1.430942    2.597378    0.052923
     20          8           0        3.515463   -0.471377   -0.290315
     21          1           0        2.491301   -2.182395    0.056578
     22          1           0        2.421925   -1.030336    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481596   -0.225378
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515936   0.000000
     3  C    1.516940   2.481319   0.000000
     4  C    2.500009   2.876394   1.530028   0.000000
     5  O    2.845824   2.408938   2.409695   1.428568   0.000000
     6  C    2.493928   1.529398   2.863703   2.376652   1.411889
     7  O    1.421737   2.442584   2.368218   3.727894   4.124973
     8  H    1.097970   2.136454   2.139064   2.756062   3.248756
     9  O    2.369281   1.417706   3.709417   4.150076   3.660547
    10  H    2.141378   1.099219   2.741774   3.268788   2.660416
    11  H    2.136440   2.733567   1.097617   2.144214   2.655895
    12  O    2.423960   3.745891   1.423084   2.402080   3.647012
    13  C    3.873622   4.270537   2.546698   1.524567   2.378936
    14  H    2.758538   3.261941   2.155735   1.097893   2.077647
    15  O    3.736427   2.419189   4.143234   3.581957   2.282277
    16  H    2.780630   2.163743   3.281341   2.654757   2.072936
    17  H    1.948772   2.585128   3.210760   4.432224   4.654616
    18  H    3.208731   1.945696   4.407173   4.632951   3.863898
    19  H    2.504982   3.938647   1.945001   3.233059   4.337547
    20  O    4.483857   5.237216   3.107824   2.440507   3.636534
    21  H    4.623916   4.769631   3.463969   2.136646   2.517653
    22  H    4.115560   4.418674   2.721716   2.150614   2.686865
    23  H    4.011380   2.681920   4.229653   3.743418   2.362195
    24  H    4.069788   5.052316   2.694835   2.529437   3.878797
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.769293   0.000000
     8  H    2.752490   2.070786   0.000000
     9  O    2.437739   2.870619   2.578479   0.000000
    10  H    2.141578   2.661450   3.043490   2.078708   0.000000
    11  H    3.247327   2.587942   3.040888   4.036965   2.534271
    12  O    4.152469   2.817519   2.643204   4.787500   4.071989
    13  C    3.679043   4.911665   4.188214   5.611955   4.427557
    14  H    2.632488   4.058714   2.558944   4.297593   3.932507
    15  O    1.396378   4.852062   4.047063   2.907447   2.651082
    16  H    1.096901   4.123043   2.586158   2.658546   3.055045
    17  H    4.018076   0.964556   2.336962   2.498245   2.883079
    18  H    2.540716   3.771210   3.435022   0.965181   2.371151
    19  H    4.654068   2.377451   2.782300   4.818164   4.197912
    20  O    4.789895   5.372251   4.604604   6.502412   5.503187
    21  H    3.849335   5.789654   4.851188   6.061207   4.957312
    22  H    4.020952   4.958346   4.675131   5.827353   4.301071
    23  H    1.925349   5.005928   4.538512   3.360881   2.509527
    24  H    4.884717   4.768034   4.202993   6.272780   5.320001
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.072136   0.000000
    13  C    2.751835   2.947624   0.000000
    14  H    3.051637   2.636797   2.142256   0.000000
    15  O    4.307618   5.491909   4.649126   3.888068   0.000000
    16  H    3.939213   4.341676   4.011197   2.434019   1.999573
    17  H    3.463413   3.700611   5.726706   4.657816   4.963467
    18  H    4.644197   5.592682   6.041104   4.810155   2.508693
    19  H    2.370616   0.965453   3.855865   3.479188   5.971006
    20  O    3.479467   2.817472   1.413151   2.605320   5.895981
    21  H    3.683037   3.968493   1.090076   2.515518   4.595155
    22  H    2.469589   3.225974   1.098430   3.047209   4.855594
    23  H    4.147003   5.634458   4.613161   4.285758   0.966872
    24  H    3.101833   2.041024   1.939958   2.710347   6.104723
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282683   0.000000
    18  H    2.809621   3.400236   0.000000
    19  H    4.875524   3.245647   5.692698   0.000000
    20  O    4.921443   6.231897   7.055851   3.725627   0.000000
    21  H    4.098953   6.537815   6.355722   4.895978   2.024062
    22  H    4.596289   5.815955   6.226567   3.993638   2.087007
    23  H    2.797508   5.194608   2.965819   6.097152   5.954208
    24  H    5.030653   5.655649   6.928912   2.879291   0.967133
                   21         22         23         24
    21  H    0.000000
    22  H    1.768905   0.000000
    23  H    4.572438   4.604224   0.000000
    24  H    2.817406   2.409494   6.177581   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3109432           0.7353740           0.4929629
 Leave Link  202 at Thu Aug 12 20:10:16 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.8206295350 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0396489711 Hartrees.
 Nuclear repulsion after empirical dispersion term =      827.7809805639 Hartrees.
 Leave Link  301 at Thu Aug 12 20:10:17 2021, MaxMem=  5368709120 cpu:               7.5 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.65D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Thu Aug 12 20:10:18 2021, MaxMem=  5368709120 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:10:19 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer001_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:10:20 2021, MaxMem=  5368709120 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.762119052751    
 DIIS: error= 2.40D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.762119052751     IErMin= 1 ErrMin= 2.40D-03
 ErrMax= 2.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-02 BMatP= 1.68D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.40D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.282 Goal=   None    Shift=    0.000
 GapD=    0.282 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.28D-03 MaxDP=3.34D-01              OVMax= 2.21D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.23D-03    CP:  1.04D+00
 E= -686.777447828158     Delta-E=       -0.015328775407 Rises=F Damp=F
 DIIS: error= 8.90D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.777447828158     IErMin= 2 ErrMin= 8.90D-04
 ErrMax= 8.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-03 BMatP= 1.68D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.90D-03
 Coeff-Com:  0.970D-01 0.903D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.961D-01 0.904D+00
 Gap=     0.276 Goal=   None    Shift=    0.000
 RMSDP=3.27D-04 MaxDP=1.14D-02 DE=-1.53D-02 OVMax= 8.07D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.78D-04    CP:  1.05D+00  1.03D+00
 E= -686.777096865572     Delta-E=        0.000350962586 Rises=F Damp=F
 DIIS: error= 1.09D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -686.777447828158     IErMin= 2 ErrMin= 8.90D-04
 ErrMax= 1.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-03 BMatP= 1.30D-03
 IDIUse=3 WtCom= 2.33D-01 WtEn= 7.67D-01
 Coeff-Com: -0.188D-01 0.553D+00 0.466D+00
 Coeff-En:   0.000D+00 0.566D+00 0.434D+00
 Coeff:     -0.438D-02 0.563D+00 0.442D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=1.57D-04 MaxDP=8.33D-03 DE= 3.51D-04 OVMax= 4.49D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.12D-04    CP:  1.05D+00  1.04D+00  6.63D-01
 E= -686.778446175026     Delta-E=       -0.001349309454 Rises=F Damp=F
 DIIS: error= 1.10D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.778446175026     IErMin= 4 ErrMin= 1.10D-04
 ErrMax= 1.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-05 BMatP= 1.30D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.10D-03
 Coeff-Com: -0.120D-01 0.270D+00 0.227D+00 0.515D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.120D-01 0.270D+00 0.227D+00 0.516D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=3.76D-05 MaxDP=1.28D-03 DE=-1.35D-03 OVMax= 6.39D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.46D-05    CP:  1.05D+00  1.04D+00  6.51D-01  9.31D-01
 E= -686.778464820032     Delta-E=       -0.000018645006 Rises=F Damp=F
 DIIS: error= 2.03D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.778464820032     IErMin= 5 ErrMin= 2.03D-05
 ErrMax= 2.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.36D-07 BMatP= 2.02D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-02 0.196D-01 0.175D-01 0.158D+00 0.807D+00
 Coeff:     -0.154D-02 0.196D-01 0.175D-01 0.158D+00 0.807D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=7.72D-06 MaxDP=2.27D-04 DE=-1.86D-05 OVMax= 1.33D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.15D-06    CP:  1.05D+00  1.04D+00  6.65D-01  9.60D-01  9.35D-01
 E= -686.778465406699     Delta-E=       -0.000000586667 Rises=F Damp=F
 DIIS: error= 7.65D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.778465406699     IErMin= 6 ErrMin= 7.65D-06
 ErrMax= 7.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.10D-08 BMatP= 6.36D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.200D-03-0.274D-02-0.188D-02 0.497D-01 0.384D+00 0.571D+00
 Coeff:     -0.200D-03-0.274D-02-0.188D-02 0.497D-01 0.384D+00 0.571D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=2.04D-06 MaxDP=6.68D-05 DE=-5.87D-07 OVMax= 4.79D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.41D-06    CP:  1.05D+00  1.04D+00  6.64D-01  9.64D-01  9.52D-01
                    CP:  7.62D-01
 E= -686.778465468127     Delta-E=       -0.000000061429 Rises=F Damp=F
 DIIS: error= 2.98D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.778465468127     IErMin= 7 ErrMin= 2.98D-06
 ErrMax= 2.98D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-08 BMatP= 9.10D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-03-0.416D-02-0.348D-02 0.584D-02 0.109D+00 0.324D+00
 Coeff-Com:  0.569D+00
 Coeff:      0.105D-03-0.416D-02-0.348D-02 0.584D-02 0.109D+00 0.324D+00
 Coeff:      0.569D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=6.54D-07 MaxDP=2.93D-05 DE=-6.14D-08 OVMax= 1.70D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.15D-07    CP:  1.05D+00  1.04D+00  6.64D-01  9.64D-01  9.58D-01
                    CP:  7.82D-01  8.15D-01
 E= -686.778465479218     Delta-E=       -0.000000011091 Rises=F Damp=F
 DIIS: error= 5.32D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.778465479218     IErMin= 8 ErrMin= 5.32D-07
 ErrMax= 5.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.53D-10 BMatP= 1.55D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.532D-04-0.174D-02-0.151D-02 0.465D-03 0.337D-01 0.128D+00
 Coeff-Com:  0.278D+00 0.563D+00
 Coeff:      0.532D-04-0.174D-02-0.151D-02 0.465D-03 0.337D-01 0.128D+00
 Coeff:      0.278D+00 0.563D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=1.84D-07 MaxDP=6.50D-06 DE=-1.11D-08 OVMax= 4.19D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.48D-07    CP:  1.05D+00  1.04D+00  6.64D-01  9.65D-01  9.57D-01
                    CP:  7.89D-01  8.22D-01  8.31D-01
 E= -686.778465479670     Delta-E=       -0.000000000452 Rises=F Damp=F
 DIIS: error= 1.63D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.778465479670     IErMin= 9 ErrMin= 1.63D-07
 ErrMax= 1.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.90D-11 BMatP= 6.53D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.115D-04-0.270D-03-0.262D-03-0.615D-03 0.121D-02 0.173D-01
 Coeff-Com:  0.573D-01 0.264D+00 0.662D+00
 Coeff:      0.115D-04-0.270D-03-0.262D-03-0.615D-03 0.121D-02 0.173D-01
 Coeff:      0.573D-01 0.264D+00 0.662D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=5.00D-08 MaxDP=1.80D-06 DE=-4.52D-10 OVMax= 9.97D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.80D-08    CP:  1.05D+00  1.04D+00  6.64D-01  9.65D-01  9.57D-01
                    CP:  7.92D-01  8.26D-01  8.45D-01  8.27D-01
 E= -686.778465479739     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 6.65D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.778465479739     IErMin=10 ErrMin= 6.65D-08
 ErrMax= 6.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.24D-12 BMatP= 5.90D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.251D-05-0.277D-04-0.391D-04-0.364D-03-0.167D-02 0.630D-03
 Coeff-Com:  0.121D-01 0.103D+00 0.345D+00 0.542D+00
 Coeff:      0.251D-05-0.277D-04-0.391D-04-0.364D-03-0.167D-02 0.630D-03
 Coeff:      0.121D-01 0.103D+00 0.345D+00 0.542D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=1.38D-08 MaxDP=4.58D-07 DE=-6.93D-11 OVMax= 3.89D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.11D-08    CP:  1.05D+00  1.04D+00  6.64D-01  9.65D-01  9.58D-01
                    CP:  7.91D-01  8.29D-01  8.50D-01  8.37D-01  9.01D-01
 E= -686.778465479728     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 1.95D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -686.778465479739     IErMin=11 ErrMin= 1.95D-08
 ErrMax= 1.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.42D-13 BMatP= 6.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.915D-07 0.188D-04 0.124D-04-0.109D-03-0.102D-02-0.186D-02
 Coeff-Com: -0.122D-02 0.182D-01 0.871D-01 0.284D+00 0.615D+00
 Coeff:     -0.915D-07 0.188D-04 0.124D-04-0.109D-03-0.102D-02-0.186D-02
 Coeff:     -0.122D-02 0.182D-01 0.871D-01 0.284D+00 0.615D+00
 Gap=     0.271 Goal=   None    Shift=    0.000
 RMSDP=4.87D-09 MaxDP=2.00D-07 DE= 1.16D-11 OVMax= 1.25D-07

 SCF Done:  E(RB3LYP) =  -686.778465480     A.U. after   11 cycles
            NFock= 11  Conv=0.49D-08     -V/T= 2.0093
 KE= 6.804439526643D+02 PE=-3.263816702848D+03 EE= 1.068813304140D+03
 Leave Link  502 at Thu Aug 12 20:13:57 2021, MaxMem=  5368709120 cpu:            1733.6 elap:             216.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.33469458D+02

 Leave Link  801 at Thu Aug 12 20:13:57 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7293 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 2.21D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.90D-01 4.94D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 4.73D-02 2.80D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 4.01D-03 8.66D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 7.75D-04 3.31D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 2.69D-05 6.08D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 5.07D-07 7.37D-05.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 1.13D-08 1.30D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 2.42D-10 1.30D-06.
      9 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 3.81D-12 2.21D-07.
      3 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 4.64D-14 1.67D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.113857D+03
      2  0.114445D+01  0.102129D+03
      3 -0.352250D+00 -0.176642D+01  0.850614D+02
 Isotropic polarizability for W=    0.088559      100.35 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.274655D+02 -0.125608D+02 -0.179345D+02
      2  -0.229441D+02  0.146564D+02  0.120322D+02
      3  -0.452141D+01 -0.209564D+01  0.590225D+01
      4  -0.200519D+02 -0.885969D+01 -0.788957D+00
      5  -0.813698D+01 -0.232040D+01  0.663665D+01
      6  -0.269605D-01  0.140264D+02 -0.126899D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.205028D+01 -0.471566D+01  0.679459D+01
      2  -0.380008D+01  0.205575D+00  0.427867D+01
      3  -0.629274D+01 -0.109133D+02  0.134172D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.153144D+01  0.199415D+01  0.105943D+02
      2  -0.979749D+01 -0.761996D+00  0.111581D+02
      3  -0.749108D+01 -0.140844D+02  0.229344D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.390784D+00  0.115352D+01  0.262436D+00
      2   0.115352D+01 -0.544783D+00  0.129286D+01
      3   0.262436D+00  0.129286D+01 -0.348994D+00
 OR G Eigenvalues:    -1.9644    -0.2144     1.6758  Iso=     0.1677
 Eigenvectors:
   (1)  -0.312423   0.765778  -0.562117
   (2)   0.701327  -0.213182  -0.680216
   (3)   0.640728   0.606743   0.470458
 w=    0.088559 a.u., Optical Rotation Beta=      0.1677 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       47.19 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 3.95D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.14D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.80D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 1.97D-01 4.85D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 3.07D-03 7.01D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 5.82D-05 7.87D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 4.16D-07 6.27D-05.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 1.27D-09 3.13D-06.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 3.38D-12 1.73D-07.
     15 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 7.56D-15 7.75D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   225 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.35D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.35D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.63D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113857D+03  0.114445D+01 -0.352250D+00
      2   0.114445D+01  0.102129D+03 -0.176642D+01
      3  -0.352250D+00 -0.176642D+01  0.850614D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.205028D+01 -0.471566D+01  0.679459D+01
      2  -0.380008D+01  0.205575D+00  0.427867D+01
      3  -0.629274D+01 -0.109133D+02  0.134172D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.274655D+02 -0.125608D+02 -0.179345D+02
      2  -0.229441D+02  0.146564D+02  0.120322D+02
      3  -0.452141D+01 -0.209564D+01  0.590225D+01
      4  -0.200519D+02 -0.885969D+01 -0.788957D+00
      5  -0.813698D+01 -0.232040D+01  0.663665D+01
      6  -0.269605D-01  0.140264D+02 -0.126899D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.281635D+01  0.194728D+01 -0.632248D+00  0.130600D+01  0.210577D+01
      2   0.194728D+01  0.197984D+01  0.159711D+00  0.210577D+01 -0.357509D+01
      3  -0.632248D+00  0.159711D+00 -0.467566D+00  0.276395D+00 -0.105404D+01
                 6             7             8             9            10 
      1   0.276395D+00 -0.108530D+01  0.504986D+00 -0.504343D+00  0.307989D+01
      2  -0.105404D+01  0.504986D+00 -0.206883D+01 -0.576901D+00 -0.167347D+01
      3   0.494282D+00 -0.504343D+00 -0.576901D+00  0.820262D+01  0.974802D+00
                11            12            13            14            15 
      1  -0.167347D+01  0.974802D+00 -0.248602D+01 -0.199316D+01 -0.542940D+00
      2  -0.127643D+01 -0.267405D+00 -0.199316D+01  0.177149D+01  0.657064D+00
      3  -0.267405D+00 -0.924518D+00 -0.542940D+00  0.657064D+00  0.121266D+01
                16            17            18            19            20 
      1   0.191915D+01 -0.739861D+00  0.280145D+00  0.138801D+01 -0.211051D+01
      2  -0.739861D+00  0.939224D+00  0.487896D+00 -0.211051D+01 -0.184974D+01
      3   0.280145D+00  0.487896D+00 -0.858884D+01  0.795279D+00  0.176160D+00
                21            22            23            24            25 
      1   0.795279D+00 -0.341329D+01 -0.283014D+01  0.130078D+00  0.179308D+01
      2   0.176160D+00 -0.283014D+01  0.244462D+01  0.732315D+00  0.314702D+00
      3   0.713640D+00  0.130078D+00  0.732315D+00  0.112265D+01  0.856627D-01
                26            27            28            29            30 
      1   0.314702D+00  0.856627D-01  0.421549D+00  0.342238D+01 -0.999947D+00
      2   0.170058D+01  0.590985D+00  0.342238D+01  0.156076D+01 -0.298404D-01
      3   0.590985D+00 -0.781252D+01 -0.999947D+00 -0.298404D-01 -0.886828D+00
                31            32            33            34            35 
      1   0.365796D+01  0.279493D+01  0.247439D-01 -0.133174D+01  0.195477D+00
      2   0.279493D+01 -0.337462D+01 -0.823539D+00  0.195477D+00 -0.163123D+01
      3   0.247439D-01 -0.823539D+00 -0.642729D+00 -0.406501D+00  0.229611D-01
                36            37            38            39            40 
      1  -0.406501D+00  0.200136D+01 -0.298703D+01  0.569546D+00 -0.428489D+01
      2   0.229611D-01 -0.298703D+01 -0.372156D+00 -0.482793D+00 -0.915999D+00
      3   0.836044D+01  0.569546D+00 -0.482793D+00 -0.160087D-01 -0.887853D-01
                41            42            43            44            45 
      1  -0.915999D+00 -0.887853D-01  0.289155D+01  0.189981D+00  0.244729D+00
      2  -0.322017D+01  0.959797D+00  0.189981D+00  0.127799D+01 -0.694632D+00
      3   0.959797D+00  0.564524D+00  0.244729D+00 -0.694632D+00 -0.127281D+01
                46            47            48            49            50 
      1  -0.413145D+01  0.546346D+00 -0.188177D+00  0.317998D+01  0.189332D+01
      2   0.546346D+00  0.178867D+01  0.900648D+00  0.189332D+01 -0.160234D+01
      3  -0.188177D+00  0.900648D+00 -0.374465D+00  0.124513D+00 -0.553799D+00
                51            52            53            54            55 
      1   0.124513D+00 -0.151972D+01  0.368588D+00 -0.810410D-01  0.455702D+01
      2  -0.553799D+00  0.368588D+00 -0.134089D+01 -0.160446D+00 -0.104261D+01
      3  -0.205045D+01 -0.810410D-01 -0.160446D+00  0.861167D+01  0.129890D+01
                56            57            58            59            60 
      1  -0.104261D+01  0.129890D+01 -0.365588D+00  0.919086D-02 -0.265378D+00
      2   0.190441D+01 -0.153851D+00  0.919086D-02  0.766139D+01  0.133905D+01
      3  -0.153851D+00  0.780149D+00 -0.265378D+00  0.133905D+01 -0.210477D+00
                61            62            63            64            65 
      1   0.201440D+01 -0.101075D+01  0.125870D+00  0.466850D+00 -0.336745D+00
      2  -0.101075D+01  0.332838D+01  0.153907D+01 -0.336745D+00 -0.350008D+00
      3   0.125870D+00  0.153907D+01  0.306430D+00 -0.922625D+00 -0.138907D-01
                66            67            68            69            70 
      1  -0.922625D+00 -0.162468D+00 -0.340167D+00  0.457871D-02 -0.170087D+01
      2  -0.138907D-01 -0.340167D+00  0.779406D+00 -0.108642D+01  0.119195D+00
      3   0.159536D+00  0.457871D-02 -0.108642D+01  0.373452D+00  0.147549D-01
                71            72            73            74            75 
      1   0.119195D+00  0.147549D-01 -0.358754D+01  0.340345D+01 -0.105518D+01
      2  -0.188438D+01  0.830651D+00  0.340345D+01  0.874161D+00 -0.924070D-01
      3   0.830651D+00 -0.762231D+01 -0.105518D+01 -0.924070D-01  0.856212D+00
                76            77            78            79            80 
      1   0.665679D+01 -0.309191D+00  0.358946D+00 -0.313050D+01  0.242946D+00
      2  -0.309191D+00  0.346039D+01 -0.909362D+00  0.242946D+00 -0.111512D+01
      3   0.358946D+00 -0.909362D+00  0.525756D+00 -0.128792D+01  0.529286D+00
                81            82            83            84            85 
      1  -0.128792D+01 -0.698105D+00  0.350848D+00  0.107081D+01  0.272201D+00
      2   0.529286D+00  0.350848D+00  0.252779D+00  0.393866D-01  0.265291D+00
      3  -0.262438D+00  0.107081D+01  0.393866D-01 -0.295577D+00  0.706148D-01
                86            87            88            89            90 
      1   0.265291D+00  0.706148D-01  0.201114D+01  0.119052D+00 -0.740886D+00
      2  -0.469299D+00  0.105817D+01  0.119052D+00  0.158033D+01 -0.282895D+00
      3   0.105817D+01 -0.579107D+00 -0.740886D+00 -0.282895D+00  0.784192D+01
                91            92            93            94            95 
      1  -0.256323D+00  0.206550D+00  0.101686D+01  0.323652D+00  0.470551D+00
      2   0.206550D+00  0.446008D+00  0.530293D-01  0.470551D+00 -0.384198D+00
      3   0.101686D+01  0.530293D-01 -0.716644D-01  0.741828D-01  0.907472D+00
                96            97            98            99           100 
      1   0.741828D-01  0.185649D+01 -0.208606D-01  0.315762D+00  0.603335D+01
      2   0.907472D+00 -0.208606D-01  0.168559D+01  0.152246D+00  0.195366D+01
      3  -0.254551D+00  0.315762D+00  0.152246D+00  0.747583D+01 -0.822137D+00
               101           102           103           104           105 
      1   0.195366D+01 -0.822137D+00  0.773976D+00  0.302422D+01  0.161030D+00
      2   0.360487D+01  0.157200D+00  0.302422D+01 -0.328836D+01 -0.980681D+00
      3   0.157200D+00 -0.829404D-01  0.161030D+00 -0.980681D+00 -0.767672D+00
               106           107           108           109           110 
      1  -0.188484D+01 -0.482953D+00  0.110532D+01  0.106425D+01 -0.292886D+01
      2  -0.482953D+00 -0.220651D+01  0.458886D+00 -0.292886D+01  0.646432D+00
      3   0.110532D+01  0.458886D+00 -0.140530D+00  0.169369D+01 -0.406267D+00
               111           112           113           114           115 
      1   0.169369D+01 -0.281032D+01 -0.180144D+01  0.453820D-01  0.293826D+01
      2  -0.406267D+00 -0.180144D+01  0.683529D+01  0.126969D+01  0.425424D-01
      3   0.113988D+01  0.453820D-01  0.126969D+01 -0.324394D+00 -0.196561D+00
               116           117           118           119           120 
      1   0.425424D-01 -0.196561D+00  0.839416D+00 -0.596940D+00 -0.105655D+01
      2   0.138630D+01  0.765097D+00 -0.596940D+00 -0.835834D-01 -0.246901D-01
      3   0.765097D+00 -0.793173D+01 -0.105655D+01 -0.246901D-01  0.667614D+00
               121           122           123           124           125 
      1  -0.681970D+00 -0.109112D+00 -0.690022D-01 -0.241638D+01 -0.111855D+00
      2  -0.109112D+00  0.223664D+00 -0.975474D+00 -0.111855D+00 -0.134027D+01
      3  -0.690022D-01 -0.975474D+00 -0.996734D-01  0.910480D+00 -0.485027D+00
               126           127           128           129           130 
      1   0.910480D+00 -0.414683D+01 -0.251308D+01  0.773584D-01 -0.284533D+01
      2  -0.485027D+00 -0.251308D+01 -0.279443D+01 -0.799041D-01 -0.282810D+01
      3  -0.765349D+01  0.773584D-01 -0.799041D-01  0.501474D-01 -0.439577D+00
               131           132           133           134           135 
      1  -0.282810D+01 -0.439577D+00 -0.757175D+00 -0.958077D+00  0.165479D+00
      2  -0.527336D+01 -0.595285D+00 -0.958077D+00 -0.198434D+01  0.117247D+01
      3  -0.595285D+00  0.132445D+01  0.165479D+00  0.117247D+01 -0.556786D+01
               136           137           138           139           140 
      1   0.373596D-02 -0.365123D+00 -0.119593D+01 -0.480670D+00 -0.577449D+00
      2  -0.365123D+00 -0.428199D+00 -0.892516D-01 -0.577449D+00 -0.332324D+00
      3  -0.119593D+01 -0.892516D-01 -0.233017D+00  0.981040D-01 -0.953742D+00
               141           142           143           144           145 
      1   0.981040D-01 -0.224672D+01 -0.378825D+00 -0.958705D+00 -0.592439D+01
      2  -0.953742D+00 -0.378825D+00 -0.151602D+01 -0.117754D+01  0.330382D+01
      3  -0.147116D+00 -0.958705D+00 -0.117754D+01 -0.812460D+01 -0.525841D+00
               146           147           148           149           150 
      1   0.330382D+01 -0.525841D+00  0.232402D+01 -0.191747D+01  0.153702D+00
      2  -0.383004D+01  0.458646D-01 -0.191747D+01  0.272408D+01 -0.263872D+00
      3   0.458646D-01 -0.106091D+01  0.153702D+00 -0.263872D+00  0.711213D+00
               151           152           153           154           155 
      1  -0.123780D+01  0.628676D+00 -0.794492D+00 -0.700405D+01 -0.211969D+01
      2   0.628676D+00 -0.102191D+01  0.756733D+00 -0.211969D+01 -0.212364D+01
      3  -0.794492D+00  0.756733D+00 -0.118601D+00 -0.195045D-01  0.506755D-01
               156           157           158           159           160 
      1  -0.195045D-01 -0.475979D+01 -0.191273D+01 -0.197107D+00  0.853343D+00
      2   0.506755D-01 -0.191273D+01 -0.248632D+01  0.219065D+00  0.163659D+00
      3  -0.104144D+01 -0.197107D+00  0.219065D+00 -0.622201D+00 -0.980854D+00
               161           162           163           164           165 
      1   0.163659D+00 -0.980854D+00 -0.469510D+00  0.691005D+00  0.218274D+00
      2   0.389248D+00 -0.254325D+00  0.691005D+00 -0.105180D+01 -0.329816D-01
      3  -0.254325D+00 -0.958139D-01  0.218274D+00 -0.329816D-01  0.840457D-01
               166           167           168           169           170 
      1   0.234815D+01  0.641531D+00 -0.116765D+00  0.566168D+00 -0.123569D-01
      2   0.641531D+00  0.874941D+01  0.512536D+00 -0.123569D-01  0.129898D+01
      3  -0.116765D+00  0.512536D+00  0.113048D+01  0.212995D+00  0.993544D+00
               171           172           173           174           175 
      1   0.212995D+00  0.863096D+01  0.727459D+00 -0.147013D+01 -0.197726D+00
      2   0.993544D+00  0.727459D+00  0.827101D+00  0.194781D+00  0.259802D+01
      3   0.131391D+00 -0.147013D+01  0.194781D+00  0.989323D-01  0.249817D+00
               176           177           178           179           180 
      1   0.259802D+01  0.249817D+00 -0.289283D+01 -0.176550D+00  0.178789D+01
      2  -0.470172D+01 -0.560897D+00 -0.176550D+00 -0.613011D+00  0.509857D-01
      3  -0.560897D+00 -0.100215D+01  0.178789D+01  0.509857D-01 -0.625229D+00
               181           182           183           184           185 
      1   0.707949D+00 -0.107729D+01 -0.526609D+00 -0.231143D+01  0.232916D+01
      2  -0.107729D+01  0.558236D+00  0.862066D-01  0.232916D+01 -0.937235D+01
      3  -0.526609D+00  0.862066D-01  0.263769D+00  0.843302D-01 -0.736726D+00
               186           187           188           189           190 
      1   0.843302D-01 -0.115235D+01  0.379871D+00  0.468258D+00  0.900165D-01
      2  -0.736726D+00  0.379871D+00 -0.156701D+01 -0.125243D+01  0.258162D+00
      3  -0.977271D+00  0.468258D+00 -0.125243D+01  0.125026D+00  0.114397D+01
               191           192           193           194           195 
      1   0.258162D+00  0.114397D+01  0.834287D+00  0.231497D+00 -0.201929D-01
      2   0.231412D-01  0.348335D-01  0.231497D+00 -0.783720D+00  0.975433D+00
      3   0.348335D-01 -0.844202D-01 -0.201929D-01  0.975433D+00  0.404929D+00
               196           197           198           199           200 
      1   0.213020D+01 -0.260560D+00  0.933263D+00 -0.607565D+00 -0.283809D+00
      2  -0.260560D+00  0.139129D+01 -0.112217D+01 -0.283809D+00  0.395325D-01
      3   0.933263D+00 -0.112217D+01  0.881848D+01  0.444735D+00 -0.140768D+00
               201           202           203           204           205 
      1   0.444735D+00 -0.382993D+00 -0.343174D+00  0.214337D+00  0.206764D+01
      2  -0.140768D+00 -0.343174D+00 -0.159587D+01  0.952891D+00  0.105042D+01
      3   0.297031D+00  0.214337D+00  0.952891D+00 -0.122386D+01 -0.123159D+01
               206           207           208           209           210 
      1   0.105042D+01 -0.123159D+01  0.357748D+00  0.122418D+01  0.110657D+00
      2   0.300001D+01 -0.270816D+01  0.122418D+01 -0.345903D+00 -0.844488D-01
      3  -0.270816D+01  0.625710D+01  0.110657D+00 -0.844488D-01  0.428398D+00
               211           212           213           214           215 
      1   0.350546D+01 -0.485350D+00 -0.331006D+00  0.314816D+00 -0.167449D+00
      2  -0.485350D+00  0.580998D+01 -0.896414D-01 -0.167449D+00  0.311620D+00
      3  -0.331006D+00 -0.896414D-01  0.103726D+01  0.532283D+00  0.363720D+00
               216 
      1   0.532283D+00
      2   0.363720D+00
      3  -0.314141D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100193D+01  0.162978D+00 -0.482031D+00 -0.131013D+01  0.201419D+01
      2   0.903264D+00  0.270793D-01  0.143441D+01  0.722409D+00  0.159424D+01
      3  -0.144853D+01  0.136394D+00 -0.688051D+00  0.537595D+01 -0.109059D+01
                 6             7             8             9            10 
      1   0.616878D+00  0.712508D+00  0.387689D+01 -0.843507D+01 -0.622462D+00
      2   0.266462D+00 -0.286672D+01 -0.104296D+00 -0.515843D+01 -0.217689D+01
      3  -0.200675D+00 -0.602494D+00 -0.155226D+01 -0.108214D+01 -0.229912D+01
                11            12            13            14            15 
      1  -0.195756D+01 -0.741891D+00 -0.378282D+00 -0.181890D+01 -0.160680D+01
      2  -0.351032D+00  0.441500D+00  0.449611D+00 -0.121485D+01 -0.183240D+01
      3  -0.458848D+01 -0.165615D+00  0.131699D+01  0.219766D+01  0.220939D+01
                16            17            18            19            20 
      1  -0.115929D+01  0.219307D+01 -0.626842D+00 -0.166582D+01 -0.154137D-01
      2  -0.362391D+01 -0.104401D+01  0.120864D+02 -0.189608D+00  0.102129D+01
      3  -0.682112D+00  0.155335D+01  0.970150D+00  0.246586D+01 -0.395176D+01
                21            22            23            24            25 
      1   0.530665D+00 -0.110823D+01 -0.145575D+01 -0.833213D+00  0.475642D+00
      2   0.133388D+00  0.574922D+00  0.808375D+00 -0.217797D+00 -0.440432D+01
      3   0.132719D+00  0.219600D+01 -0.404226D+01 -0.135542D+01  0.168517D+01
                26            27            28            29            30 
      1   0.217188D+01  0.543788D+01 -0.157032D+01  0.329974D+00  0.114830D+01
      2   0.394804D+00 -0.457662D+01 -0.112768D+01  0.990397D+00 -0.226649D+01
      3  -0.828726D+00 -0.363825D+00 -0.619953D+01 -0.824783D+01  0.344860D+00
                31            32            33            34            35 
      1  -0.761691D+00  0.896020D-01 -0.332689D+00 -0.239609D+00  0.344714D+01
      2  -0.637623D+00 -0.804172D+00 -0.283208D+01 -0.538010D+01  0.791775D+00
      3  -0.451119D+01  0.559662D+01  0.182674D+01  0.794799D+00  0.910450D+00
                36            37            38            39            40 
      1   0.422784D+01  0.194019D+01 -0.269933D-01 -0.125874D+01  0.472376D+00
      2   0.138299D+02  0.302269D+00  0.116608D+00  0.102556D+02 -0.273425D+00
      3   0.402334D+00 -0.375839D+01 -0.138827D+01 -0.145269D+01  0.181777D+02
                41            42            43            44            45 
      1   0.904560D+00 -0.440865D+01  0.204877D+01  0.219912D+01 -0.252305D+00
      2  -0.813105D-01  0.554999D+00 -0.657717D+01 -0.156508D+01  0.115635D+01
      3   0.194807D+01 -0.445881D-01 -0.464097D+01 -0.509383D+00 -0.303003D+00
                46            47            48            49            50 
      1  -0.247001D+00  0.234606D+00 -0.517849D+00 -0.844354D+00  0.179602D+00
      2   0.114769D+01  0.336853D+00 -0.413097D+01 -0.273444D+00  0.188165D+01
      3   0.741734D+01  0.394521D+01  0.592034D+00 -0.100226D+01 -0.130457D+01
                51            52            53            54            55 
      1  -0.120440D+01 -0.225036D+01  0.297061D+01  0.957370D+01 -0.416900D+01
      2   0.325244D+01 -0.397929D+01 -0.837868D+00 -0.142636D+02 -0.361799D+01
      3  -0.177619D+01  0.188872D+01 -0.203373D+01 -0.297871D+00  0.159161D+02
                56            57            58            59            60 
      1   0.164293D+01 -0.147242D+01  0.212923D+01 -0.385025D+01 -0.580768D+01
      2   0.275945D+01  0.995201D+00  0.799398D+00 -0.218582D+01 -0.369608D+00
      3  -0.518976D+01  0.269528D+01  0.386241D+01  0.913218D+01  0.196225D+00
                61            62            63            64            65 
      1  -0.118299D+01  0.113607D+01 -0.297233D+01  0.116441D+01 -0.689828D-01
      2  -0.442856D+01 -0.461956D-01 -0.107938D+01  0.999346D+00 -0.548388D+00
      3   0.606890D+01  0.161044D+01  0.175010D+01  0.407595D+00 -0.160090D+01
                66            67            68            69            70 
      1  -0.423397D+00 -0.126113D-01  0.154027D+01 -0.477824D+00 -0.274345D+00
      2   0.939921D+00 -0.342410D+00  0.501930D+00  0.135678D-01 -0.387785D+01
      3  -0.990450D+00  0.581746D+00  0.153511D+00 -0.655727D+00 -0.240413D+01
                71            72            73            74            75 
      1   0.361835D+01  0.907882D+01 -0.115713D+01 -0.225907D-01  0.144334D+01
      2  -0.392118D+00  0.515737D+01  0.538611D+01  0.140586D+01  0.421045D+01
      3  -0.110848D+01  0.834980D+00  0.112295D+02  0.313082D+00 -0.307173D+00
                76            77            78            79            80 
      1  -0.203250D+01 -0.559099D+00 -0.240901D+01  0.163824D+01  0.312415D+01
      2   0.115845D+01  0.273749D+01 -0.358397D+01 -0.118873D+01 -0.178000D+01
      3   0.766894D+01  0.170470D+02 -0.201331D+01 -0.231051D+00 -0.514830D+01
                81            82            83            84            85 
      1   0.386712D+00  0.115906D+00  0.276473D+00  0.651853D-02  0.682456D+00
      2   0.257674D+01 -0.216774D+01 -0.867749D-01  0.659989D+00  0.778833D-01
      3   0.933644D+00  0.656628D+00 -0.410460D+00  0.830108D-01  0.156507D+01
                86            87            88            89            90 
      1  -0.375355D+00 -0.160555D+01  0.398962D+00  0.409913D+01 -0.120402D+01
      2  -0.182785D+01  0.102801D+01 -0.328639D+01  0.315411D+00 -0.126247D+02
      3  -0.499320D+00  0.127969D+01  0.277017D+00  0.296145D+01 -0.624980D-01
                91            92            93            94            95 
      1  -0.954769D+00  0.205257D+00  0.520653D+00  0.167602D+00 -0.124812D+01
      2   0.146096D+01  0.322200D+00  0.236941D+00  0.646356D+00  0.241628D+00
      3  -0.318765D+00 -0.979190D+00  0.741007D+00  0.109521D+01  0.211715D+00
                96            97            98            99           100 
      1  -0.602578D+00 -0.470026D+00  0.411188D+01 -0.627804D+01  0.210161D+01
      2  -0.646106D+00 -0.448766D+01  0.371985D+00  0.474734D+01 -0.174826D+01
      3  -0.384020D+00  0.129176D+01 -0.116508D+01 -0.610865D-01  0.925023D+01
               101           102           103           104           105 
      1  -0.845925D-01 -0.196490D+01  0.950301D+00  0.462428D+01 -0.220595D+01
      2  -0.798726D+00  0.504581D+01  0.273492D+00 -0.171463D+01  0.103682D+01
      3  -0.108052D+02 -0.130837D+01 -0.182274D+01  0.145947D+02  0.241676D+01
               106           107           108           109           110 
      1  -0.159222D+01  0.371626D+01  0.165562D+01  0.147191D+01 -0.907589D-01
      2  -0.127411D+01  0.664943D+00 -0.124164D+01  0.252079D+01 -0.422115D+00
      3  -0.421662D+01  0.424041D+01  0.861752D+00  0.344970D+01  0.301965D+01
               111           112           113           114           115 
      1   0.210125D+01 -0.157361D+01  0.726802D+01 -0.126043D+01 -0.127885D+01
      2   0.133031D+01  0.389958D+00  0.310594D+01 -0.219921D+01 -0.490751D+01
      3  -0.107630D+01  0.117734D+02 -0.139556D+02 -0.319388D+01 -0.320061D+01
               116           117           118           119           120 
      1   0.285492D+01 -0.132450D+02 -0.377528D+00  0.161667D+00  0.578631D+00
      2   0.219071D+01 -0.175661D+02 -0.969948D+00 -0.337046D+00  0.177276D+01
      3  -0.393235D+01 -0.202869D+01  0.584972D+00 -0.529748D-01  0.863747D+00
               121           122           123           124           125 
      1  -0.531643D-01 -0.106748D+01 -0.649387D+00  0.371335D+00  0.347660D+01
      2   0.447296D-01 -0.128243D+01  0.159169D-02 -0.384153D+01 -0.531391D+00
      3   0.209568D+01 -0.100241D+01  0.139553D+01  0.212322D+01  0.233580D+01
               126           127           128           129           130 
      1  -0.400113D+01 -0.180035D+00 -0.618373D+00 -0.156866D+01  0.184084D+00
      2  -0.106023D+02 -0.277703D+00 -0.146143D+01  0.571236D+01  0.615085D+00
      3  -0.323942D+00  0.605361D+01 -0.614534D+01  0.839115D+00  0.639883D+01
               131           132           133           134           135 
      1  -0.137136D+00 -0.279005D+01  0.233144D+01  0.544682D+01 -0.147592D+02
      2   0.985496D+00 -0.124673D+01 -0.132160D+01 -0.362125D+01  0.122159D+02
      3  -0.571576D+01 -0.634094D+00  0.391142D+00 -0.113726D+01  0.259888D+01
               136           137           138           139           140 
      1  -0.138481D+01  0.971797D-01 -0.433546D+00  0.748239D+00 -0.130500D+01
      2   0.201391D+01  0.507713D-02  0.943470D+00  0.213995D+00  0.101412D+01
      3  -0.646774D+00 -0.135071D+01  0.179359D+01  0.765224D+00  0.976991D+00
               141           142           143           144           145 
      1  -0.652858D+00 -0.574621D+00  0.302418D+01 -0.923492D+01  0.329524D+01
      2  -0.108009D+00 -0.345304D+01  0.123234D+01  0.120037D+02  0.332150D+01
      3  -0.143736D+01  0.329110D+01 -0.179551D+01  0.749821D+00 -0.160990D+02
               146           147           148           149           150 
      1  -0.143153D+01  0.356589D+01 -0.114773D+01  0.140021D+01 -0.185045D+01
      2  -0.191549D+01  0.270895D+01 -0.133174D+01  0.115996D+01 -0.142523D+01
      3   0.266687D+01 -0.201481D+01  0.492347D+01 -0.280802D+01  0.170353D+00
               151           152           153           154           155 
      1   0.233784D+01 -0.112108D+01  0.570420D+00  0.151585D+01  0.884330D+00
      2   0.842939D+00 -0.137511D+01  0.600485D+00 -0.264609D+01 -0.138746D+01
      3  -0.402262D+01  0.344484D+00 -0.118106D+01 -0.105796D+02 -0.986160D+01
               156           157           158           159           160 
      1  -0.424978D+00  0.129026D+01  0.884200D+00 -0.392801D+00 -0.342285D+00
      2   0.387058D+01 -0.173835D+01 -0.178830D+01  0.283028D+01  0.201983D+01
      3   0.186826D+00 -0.783152D+01 -0.132147D+02  0.956988D+00  0.761888D+00
               161           162           163           164           165 
      1   0.909941D+00  0.408787D+00 -0.504500D+00  0.537163D+00  0.237516D+00
      2   0.102560D+01  0.921343D-01  0.520734D+00 -0.152984D+00 -0.242367D+00
      3   0.236922D+01 -0.819649D+00 -0.479494D+01  0.446515D+01  0.904109D+00
               166           167           168           169           170 
      1   0.453709D+00 -0.314861D+01 -0.369789D+01 -0.374062D+00 -0.161000D+01
      2  -0.445234D+00  0.705645D+00  0.164381D+01 -0.901809D+00  0.140472D+01
      3   0.717973D+01 -0.189871D+02 -0.180429D+01  0.215085D+01 -0.344766D+01
               171           172           173           174           175 
      1  -0.525488D+00 -0.104533D+01 -0.836496D+00 -0.173984D+01  0.109472D+01
      2   0.629888D-01 -0.399072D+01 -0.888398D+00  0.734502D+01  0.591037D+00
      3  -0.117828D+01 -0.906026D+01 -0.125453D+02  0.149856D+01 -0.824617D+01
               176           177           178           179           180 
      1   0.194549D+01 -0.345482D+01  0.219965D+01  0.394434D+01  0.335347D+00
      2  -0.145377D+01 -0.180672D+01  0.195351D+01 -0.998569D-01 -0.357146D+01
      3   0.212017D+02  0.894684D+00  0.190264D+01  0.376840D+01 -0.183722D+01
               181           182           183           184           185 
      1  -0.146859D+01  0.476813D+00  0.701716D+00  0.899429D+00 -0.506290D+01
      2  -0.137862D+01  0.529324D+00  0.138501D+01  0.447705D+00 -0.196038D+01
      3   0.207682D+01 -0.870915D+00  0.663677D+00  0.688950D+00  0.202729D+02
               186           187           188           189           190 
      1  -0.444291D+01  0.989236D+00 -0.167973D+01 -0.355915D+00  0.201576D+01
      2  -0.266188D+01  0.484744D+00 -0.296629D+01  0.251063D+00  0.362773D+01
      3   0.188521D+01  0.182253D+01  0.325366D+01  0.237926D+01 -0.579822D-01
               191           192           193           194           195 
      1  -0.104909D+00 -0.291158D-01 -0.204767D+00  0.108194D+01  0.636891D+00
      2  -0.151779D+00 -0.503778D-01 -0.825179D+00  0.258429D+01  0.968061D+00
      3  -0.130085D+01 -0.151875D+01 -0.102358D+01  0.139266D+01 -0.207128D+01
               196           197           198           199           200 
      1   0.651327D+00  0.270886D+01  0.127756D+02  0.103913D+01  0.173688D-01
      2  -0.269108D+01 -0.234842D+01  0.212313D+02 -0.217745D+01 -0.925514D-01
      3  -0.237885D+01 -0.325961D+01  0.233157D+01 -0.242984D+00  0.185342D+00
               201           202           203           204           205 
      1   0.943238D+00  0.512401D+00  0.254795D+01 -0.329878D+01 -0.319737D+01
      2  -0.714626D+00 -0.732842D+00 -0.233847D+01  0.301112D+01  0.132811D+00
      3  -0.118981D+01  0.476353D+00 -0.207361D+01  0.154551D+01 -0.304880D+01
               206           207           208           209           210 
      1  -0.444755D+01  0.165795D+02 -0.314658D+00  0.231457D+00 -0.720352D+00
      2   0.613076D+01 -0.141101D+02  0.879993D-01  0.197523D+00  0.513878D+00
      3   0.393525D+01 -0.317947D+01 -0.457403D+01  0.349059D+01  0.257451D+00
               211           212           213           214           215 
      1   0.186681D-01 -0.356920D+01  0.200228D+00 -0.647321D+00  0.895427D+00
      2  -0.404788D+00 -0.668792D+00  0.432258D+01  0.125572D+00  0.161581D+01
      3   0.522777D+01 -0.294590D+02  0.618842D+00  0.978538D+00 -0.136457D+01
               216 
      1  -0.239585D-01
      2  -0.104255D+01
      3  -0.109375D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.213845D+01 -0.684288D+01 -0.747384D-01 -0.531440D+01  0.102162D+02
      2   0.178951D+01  0.928569D+01 -0.525459D+00  0.639979D+01 -0.203635D+02
      3  -0.392796D+01 -0.244282D+01  0.600197D+00 -0.108539D+01  0.101473D+02
      4  -0.380617D+01 -0.113420D+01 -0.474450D+00 -0.799963D+01  0.873394D+01
      5   0.116544D+01 -0.904000D+00  0.766928D-01 -0.269410D+01  0.143478D+01
      6   0.848563D+00  0.132620D+01  0.929359D+00  0.235211D+01 -0.579938D+01
                 6             7             8             9            10 
      1   0.188888D+01  0.168678D+01  0.423537D+01  0.779794D+01 -0.170685D+02
      2  -0.994181D+00 -0.263834D+00 -0.987679D+01  0.379905D+01  0.794940D+01
      3  -0.894702D+00 -0.142295D+01  0.564142D+01 -0.115970D+02  0.911910D+01
      4   0.200813D+01 -0.208133D+01  0.345814D+01 -0.637622D-01  0.944611D+01
      5   0.641884D+00  0.203750D+01  0.115975D+01 -0.111443D+02 -0.612238D+01
      6  -0.684045D+01 -0.312933D+00 -0.175357D+01  0.210719D+02  0.365026D+00
                11            12            13            14            15 
      1   0.412779D+01 -0.862682D+00  0.993489D+01  0.623381D+01  0.129519D+01
      2  -0.833733D+00  0.303740D+01 -0.622628D+01 -0.148588D+01 -0.177270D+01
      3  -0.329406D+01 -0.217472D+01 -0.370861D+01 -0.474793D+01  0.477512D+00
      4  -0.309689D+01  0.963917D+00  0.544905D+01 -0.541414D+01 -0.168420D+01
      5   0.906705D+00 -0.333562D+01  0.290001D+01 -0.408587D+00 -0.329380D+01
      6  -0.193830D+01  0.211951D+01 -0.110399D+01  0.269270D+00  0.633790D+00
                16            17            18            19            20 
      1  -0.102189D+02  0.173064D+01  0.569946D+01 -0.660942D+01  0.718694D+00
      2   0.355647D+01 -0.177714D+01  0.679164D+01  0.537310D+00 -0.591125D+01
      3   0.666241D+01  0.465004D-01 -0.124911D+02  0.607211D+01  0.519256D+01
      4   0.547776D+01 -0.295978D+01 -0.254639D+01 -0.555803D+01 -0.850953D+01
      5  -0.111535D+01 -0.221055D+01  0.307964D+02  0.268924D+01  0.125557D+01
      6   0.227067D+00  0.481773D+00  0.124265D+01 -0.290402D+00  0.145343D+01
                21            22            23            24            25 
      1  -0.703796D+00 -0.638582D+01 -0.430958D+01 -0.134026D+01  0.220935D+01
      2  -0.176304D+01  0.617475D+00  0.387619D+01 -0.162365D-01  0.794066D+00
      3   0.246683D+01  0.576835D+01  0.433387D+00  0.135649D+01 -0.300341D+01
      4   0.472845D+00 -0.925791D+01 -0.226622D+01 -0.187548D+00  0.399412D+01
      5  -0.344358D+01  0.180140D+01  0.270064D+00 -0.961483D+00  0.426383D+00
      6  -0.164584D+01  0.334309D-01  0.238512D+01 -0.106579D+01 -0.115937D+00
                26            27            28            29            30 
      1   0.180578D+00  0.484680D+01 -0.911317D+01  0.939924D+01 -0.352097D+01
      2   0.160467D+01  0.911855D+01  0.349200D+01 -0.748548D+01  0.637014D+00
      3  -0.178525D+01 -0.139654D+02  0.562117D+01 -0.191376D+01  0.288395D+01
      4   0.345327D+01  0.128789D+01 -0.203771D+01 -0.721617D+01  0.267372D+01
      5   0.608271D+00 -0.108856D+02 -0.409388D+01  0.151190D+01 -0.797300D+01
      6   0.321501D+01 -0.128083D+02  0.399338D+01 -0.738265D+00  0.438863D+00
                31            32            33            34            35 
      1   0.669647D+01  0.387540D+01 -0.333335D+01 -0.212538D+01  0.149951D+00
      2  -0.455928D+01 -0.389978D+01  0.125243D+00 -0.145987D+01  0.104284D+01
      3  -0.213719D+01  0.243767D-01  0.320811D+01  0.358525D+01 -0.119280D+01
      4  -0.711033D+01 -0.138422D+02 -0.111046D+01  0.133620D+01 -0.206821D+01
      5   0.246847D+00 -0.413131D+00 -0.443089D+01 -0.249538D+01  0.349322D+00
      6  -0.445215D+00  0.182938D+01 -0.182454D+01  0.733571D+00 -0.103552D+00
                36            37            38            39            40 
      1   0.552198D+01  0.159101D+01 -0.209072D+01 -0.117462D+01  0.746118D+00
      2   0.575951D+01  0.846352D+00  0.220961D+01 -0.267965D+00  0.300687D+00
      3  -0.112815D+02 -0.243736D+01 -0.118892D+00  0.144259D+01 -0.104681D+01
      4   0.623427D+00 -0.175694D+01  0.157803D+02 -0.177551D+01  0.136863D+02
      5   0.240064D+02  0.138441D+01 -0.288880D+00  0.170459D+02 -0.155397D+01
      6  -0.101207D+02 -0.188617D+01  0.169922D+01  0.232902D+01 -0.523911D+00
                41            42            43            44            45 
      1  -0.144455D+02  0.370264D+01  0.801092D+00  0.271720D+01 -0.553420D+01
      2   0.196151D+02 -0.127640D+01 -0.184002D+01 -0.313442D+01 -0.440637D+00
      3  -0.516958D+01 -0.242624D+01  0.103893D+01  0.417225D+00  0.597483D+01
      4   0.305447D+01 -0.471081D+00 -0.644455D+01 -0.398750D-01 -0.160207D+01
      5  -0.872732D+00  0.177752D+01  0.449775D+01 -0.477997D+00  0.219838D+01
      6  -0.362429D+01  0.480380D+01 -0.103490D+01  0.621036D+01  0.119848D+01
                46            47            48            49            50 
      1  -0.952797D+01  0.370481D+01  0.419332D+01 -0.867050D+01 -0.249643D+01
      2   0.493728D+01 -0.854810D+01 -0.144811D+01  0.438577D+00 -0.489992D+01
      3   0.459069D+01  0.484329D+01 -0.274521D+01  0.823192D+01  0.739634D+01
      4   0.234917D+01 -0.191482D+02 -0.134495D+01 -0.171539D+02 -0.368419D+01
      5   0.468523D+00 -0.873605D+00 -0.931276D+01  0.181781D+01  0.747265D+00
      6  -0.579648D+00 -0.253841D+01 -0.206149D+01  0.568200D+00  0.153468D+01
                51            52            53            54            55 
      1  -0.106380D+01  0.459918D+01 -0.809570D+00  0.823544D+01 -0.428123D+01
      2  -0.896413D+00  0.746701D+00  0.602233D+01  0.791660D+01 -0.342619D+01
      3   0.196021D+01 -0.534588D+01 -0.521276D+01 -0.161520D+02  0.770742D+01
      4   0.147565D+01  0.193616D+01  0.185767D+01  0.224116D+01  0.223488D+02
      5   0.439619D+01 -0.149811D+01  0.212603D+00 -0.267818D+02 -0.220789D+01
      6  -0.785866D+00  0.779688D+00  0.509752D+00 -0.235371D+02  0.646426D+01
                56            57            58            59            60 
      1   0.806567D+00 -0.248929D+01  0.328497D+01 -0.309370D+02 -0.567781D+01
      2   0.495025D+01  0.581256D+00 -0.151074D+01  0.465046D+02  0.490536D+01
      3  -0.575681D+01  0.190803D+01 -0.177423D+01 -0.155676D+02  0.772452D+00
      4  -0.608119D+01  0.534504D+01  0.228131D+01 -0.136416D+02 -0.386803D+01
      5   0.961114D+00  0.349030D+01  0.151638D+01 -0.284371D+01 -0.138456D+01
      6  -0.180032D+01  0.179245D+01 -0.259220D+01  0.106856D+02  0.110327D+02
                61            62            63            64            65 
      1  -0.162069D+01 -0.937108D+01 -0.835178D+01 -0.190399D+00  0.593354D+00
      2  -0.217692D+01  0.154937D+02  0.441362D+01 -0.312518D+01 -0.771827D+00
      3   0.379761D+01 -0.612259D+01  0.393815D+01  0.331558D+01  0.178473D+00
      4   0.104695D+02 -0.995131D+01 -0.178785D+01  0.830747D+00  0.214711D+01
      5   0.317034D+01 -0.356578D+01 -0.231686D+01  0.117289D+01 -0.961568D+00
      6  -0.811208D-01  0.135950D+02  0.640373D+01 -0.305087D+01 -0.522290D+00
                66            67            68            69            70 
      1   0.162622D+01  0.559601D+00 -0.421332D+01  0.276584D+01  0.192217D+01
      2  -0.591980D+00 -0.797808D+00  0.282807D+01 -0.358482D+01 -0.531251D+00
      3  -0.103424D+01  0.238207D+00  0.138525D+01  0.818982D+00 -0.139092D+01
      4  -0.253805D+01  0.202579D+01 -0.133362D+01  0.143643D+01 -0.340690D+01
      5   0.612009D+01  0.358269D-01  0.123370D+01 -0.162310D+00  0.337309D+01
      6   0.870663D+00 -0.575775D-01 -0.365223D+01  0.645425D+01 -0.270100D+00
                71            72            73            74            75 
      1   0.477629D+01 -0.153758D+02  0.214666D+02 -0.209128D+02  0.447729D+01
      2  -0.450597D+01 -0.118340D+02 -0.118373D+02  0.107476D+02 -0.527512D+01
      3  -0.270318D+00  0.272099D+02 -0.962936D+01  0.101652D+02  0.797830D+00
      4   0.288619D+01 -0.471702D+00 -0.267683D+02  0.490961D+01 -0.654829D+00
      5  -0.115787D+01  0.102585D+02  0.897513D+01 -0.307343D+00  0.757289D+01
      6   0.589232D+01 -0.223202D+02 -0.251608D+01  0.905587D+00 -0.260047D+01
                76            77            78            79            80 
      1  -0.411637D+02 -0.634865D+01 -0.645966D+00  0.173917D+02  0.454646D-01
      2   0.235225D+02  0.759657D+01  0.117002D+01 -0.110251D+02  0.158384D+00
      3   0.176412D+02 -0.124792D+01 -0.524052D+00 -0.636654D+01 -0.203848D+00
      4   0.492647D+01 -0.197500D+02  0.467046D+01 -0.352608D+01  0.686229D+01
      5  -0.316044D+01  0.503024D+01 -0.536473D+01  0.135316D+02 -0.420014D+01
      6   0.215552D+00 -0.182960D+01  0.497868D+01 -0.250855D+01  0.400427D+01
                81            82            83            84            85 
      1   0.371312D+01  0.261359D+01 -0.936645D+00 -0.461027D+01 -0.705799D+00
      2  -0.671411D+01 -0.421931D+01  0.341191D+00  0.278558D+01  0.299917D+00
      3   0.300098D+01  0.160572D+01  0.595454D+00  0.182469D+01  0.405881D+00
      4  -0.451230D+01 -0.106542D+01  0.967380D+00  0.298798D+00  0.126992D+01
      5   0.566729D+01 -0.454627D+01 -0.220575D+00  0.648604D+01 -0.445680D+00
      6  -0.123328D+01  0.277360D+00  0.751769D-01  0.193685D+00 -0.118079D+01
                86            87            88            89            90 
      1  -0.365929D+01  0.442032D+00 -0.668596D+01  0.159583D+00 -0.131731D+02
      2   0.237085D+00  0.793213D+00  0.563975D+01  0.573929D+00 -0.148778D+02
      3   0.342221D+01 -0.123525D+01  0.104621D+01 -0.733512D+00  0.280509D+02
      4   0.165707D+01 -0.432891D+01  0.118492D+00 -0.492234D+01  0.123232D+01
      5  -0.436261D+01  0.223201D+01  0.675416D+01  0.153079D+01 -0.298843D+02
      6  -0.145198D+00  0.741540D+01 -0.115367D+00  0.405483D+01  0.127645D+01
                91            92            93            94            95 
      1   0.212332D+00 -0.386759D+00  0.204767D+01 -0.506503D+00 -0.205659D+01
      2  -0.279926D+01  0.718755D+00 -0.512611D+00  0.623485D+00 -0.100759D+01
      3   0.258693D+01 -0.331995D+00 -0.153506D+01 -0.116982D+00  0.306418D+01
      4  -0.132556D+00  0.212064D+01  0.152268D+01  0.276673D+01  0.144780D+00
      5   0.168920D+01  0.131403D+00  0.532852D+01 -0.190303D+00  0.132290D+01
      6   0.172774D+01 -0.184671D+00 -0.635919D+00  0.270181D+00  0.140743D+01
                96            97            98            99           100 
      1  -0.565409D+00  0.226697D+01 -0.208165D+01 -0.153430D+02  0.236573D+02
      2   0.224998D+01 -0.171807D+01  0.302461D+01 -0.147280D+02 -0.943740D+01
      3  -0.168458D+01 -0.548897D+00 -0.942956D+00  0.300710D+02 -0.142199D+02
      4   0.162911D+01  0.244205D+01  0.276171D+01  0.191825D+00  0.206561D+02
      5  -0.742160D+00  0.450070D+01  0.296241D+00  0.112254D+02 -0.362109D+01
      6   0.595379D+01  0.525048D+00  0.386167D+01  0.131326D+02 -0.252574D+01
               101           102           103           104           105 
      1  -0.503542D+01 -0.198747D+01 -0.750902D+00  0.170172D+02  0.396168D+01
      2   0.130801D+02  0.300069D+01  0.550728D+01 -0.184983D+02 -0.401426D+01
      3  -0.804472D+01 -0.101322D+01 -0.475637D+01  0.148112D+01  0.525774D-01
      4   0.217272D+02 -0.174683D+01  0.168013D+02 -0.175620D+01 -0.265606D+01
      5  -0.264409D+00  0.870499D+01 -0.546118D+00 -0.420998D+01  0.144031D+01
      6   0.340933D-01  0.330833D+01  0.125206D+00 -0.582338D+01  0.499059D+01
               106           107           108           109           110 
      1  -0.525641D+01  0.509480D+01  0.400680D+00 -0.101023D+02 -0.102422D+02
      2   0.205138D+01 -0.865340D+01 -0.313273D+01  0.806669D+01  0.448200D+01
      3   0.320504D+01  0.355860D+01  0.273205D+01  0.203563D+01  0.576017D+01
      4  -0.614957D+01 -0.778798D+01  0.405527D+01 -0.121363D+02  0.137368D+01
      5   0.810694D+01  0.247601D+01 -0.215482D+01  0.115874D+02 -0.240416D+01
      6   0.506589D+01  0.491616D+01 -0.311127D+01 -0.660694D+01  0.401327D+01
               111           112           113           114           115 
      1   0.261885D+01 -0.248588D+02  0.109794D+02  0.210877D+01  0.185886D+02
      2  -0.472962D+01  0.190299D+02 -0.279894D+02 -0.610209D+01 -0.833144D+01
      3   0.211077D+01  0.582895D+01  0.170100D+02  0.399333D+01 -0.102572D+02
      4  -0.497712D+01 -0.584742D+01  0.320756D+02  0.521095D+01 -0.158955D+01
      5  -0.116196D+01  0.156647D+01  0.525287D+01 -0.425117D+01 -0.189839D+01
      6  -0.393187D+01  0.404330D+00 -0.343582D+01  0.843367D-01  0.717013D+00
               116           117           118           119           120 
      1   0.166390D+01  0.138017D+02  0.233257D+01 -0.169932D+01 -0.195476D+01
      2  -0.458515D+01  0.682366D+01 -0.373580D+01  0.977493D+00  0.156449D+01
      3   0.292124D+01 -0.206253D+02  0.140323D+01  0.721828D+00  0.390273D+00
      4   0.737858D+01  0.446746D+01 -0.224103D+01  0.241999D+01  0.105300D+01
      5   0.407434D+01 -0.372349D+02 -0.287994D+01 -0.105051D+00  0.766520D+01
      6  -0.206821D+01  0.165236D+02  0.112603D+01  0.636323D-01 -0.687660D+00
               121           122           123           124           125 
      1  -0.134261D+01 -0.366912D+01 -0.676857D+00 -0.460973D+01 -0.115689D+01
      2   0.399801D+00  0.973624D+00  0.140032D+01  0.591878D+01  0.774343D+00
      3   0.942808D+00  0.269550D+01 -0.723460D+00 -0.130904D+01  0.382551D+00
      4   0.285228D+01  0.467328D+00 -0.197971D+01  0.305411D+01 -0.251255D+01
      5  -0.643667D-02 -0.281993D+01  0.635805D+00  0.644311D+01 -0.117578D+01
      6  -0.549629D+00  0.155404D+01  0.678128D+01 -0.123135D+01  0.458982D+01
               126           127           128           129           130 
      1  -0.154015D+02  0.170023D+02  0.144222D+01  0.524020D+00  0.566065D+01
      2  -0.129465D+02 -0.424379D+00  0.986375D+01  0.498813D+00  0.607535D+01
      3   0.283480D+02 -0.165779D+02 -0.113060D+02 -0.102283D+01 -0.117360D+02
      4  -0.133973D+01  0.240354D+02  0.277014D+02 -0.918444D-01  0.267572D+02
      5  -0.203546D+02 -0.170108D+01 -0.577543D+00  0.771172D+01  0.385317D+00
      6   0.101645D+02 -0.542659D-01 -0.893594D+00  0.380377D+01  0.115024D+01
               131           132           133           134           135 
      1  -0.630909D+01 -0.146583D+01 -0.744248D+00 -0.446057D+01  0.636980D+01
      2   0.265405D+02  0.234017D+01  0.144419D+01  0.414678D+01 -0.281460D+01
      3  -0.202314D+02 -0.874348D+00 -0.699943D+00  0.313786D+00 -0.355520D+01
      4   0.296229D+02  0.232125D+01  0.463136D+01  0.714101D+01 -0.321693D+01
      5   0.175918D+01 -0.121007D+01  0.370113D+01 -0.360078D+01  0.208468D+02
      6   0.203685D+01  0.277547D+01 -0.229345D-01 -0.215782D+01  0.254904D+02
               136           137           138           139           140 
      1   0.108559D+00  0.549635D+00  0.334711D+01 -0.320233D+00 -0.313871D+01
      2  -0.267255D+01 -0.269550D-01 -0.149528D+01  0.116561D+01  0.129401D+01
      3   0.256399D+01 -0.522680D+00 -0.185183D+01 -0.845382D+00  0.184469D+01
      4   0.134959D+01  0.400954D+01  0.301743D+01  0.403198D+01  0.158976D+01
      5   0.376920D+01  0.720162D+00  0.734299D+01 -0.350572D+00  0.248146D+01
      6   0.342022D+01 -0.156648D+00  0.699422D+00  0.793065D-01  0.338024D+01
               141           142           143           144           145 
      1  -0.180906D+01  0.249737D+01 -0.403414D+01 -0.167120D+02  0.107782D+02
      2   0.336684D+01 -0.319607D+01  0.234776D+01 -0.131161D+02  0.593586D+01
      3  -0.155778D+01  0.698701D+00  0.168637D+01  0.298281D+02 -0.167140D+02
      4   0.199434D+01  0.552416D+01  0.530834D+01  0.293409D+01 -0.332726D+02
      5  -0.375597D+00  0.731611D+01  0.334310D+01  0.227483D+02  0.510586D-01
      6   0.690639D+01  0.288525D+01  0.743096D+01  0.230077D+02 -0.325886D+01
               146           147           148           149           150 
      1   0.429044D+00  0.193018D+01 -0.667273D+00 -0.247839D+01  0.198970D+00
      2  -0.136729D+02  0.330065D+00 -0.715300D+01  0.121080D+02 -0.144982D+01
      3   0.132438D+02 -0.226025D+01  0.782027D+01 -0.962964D+01  0.125085D+01
      4   0.244627D+02 -0.293505D+01  0.160385D+02 -0.139061D+02  0.164176D+01
      5   0.358983D+00  0.313539D+01  0.221664D+00  0.523148D+00 -0.199779D+01
      6   0.641772D+00 -0.536756D+01  0.104565D+01 -0.115399D+01  0.321190D+01
               151           152           153           154           155 
      1   0.161913D+01  0.115344D+01 -0.316511D+00  0.481085D+02  0.152620D+02
      2   0.139957D+01 -0.395165D+01  0.932932D+00 -0.264030D+02 -0.866349D+01
      3  -0.301870D+01  0.279821D+01 -0.616421D+00 -0.217054D+02 -0.659850D+01
      4  -0.681625D+01  0.494096D+01 -0.493784D+01  0.122888D+02  0.124990D+02
      5   0.408978D+01 -0.253618D+01  0.947653D+00  0.804790D+00 -0.127688D-01
      6  -0.458416D+01  0.495943D+01 -0.848682D+00  0.119617D+01  0.103534D+01
               156           157           158           159           160 
      1  -0.771082D+00  0.320170D+02  0.122512D+02  0.397360D+00 -0.591286D+01
      2  -0.186881D+00 -0.182636D+02 -0.543484D+01 -0.719681D+00  0.337305D+01
      3   0.957963D+00 -0.137534D+02 -0.681637D+01  0.322321D+00  0.253981D+01
      4  -0.311109D+00  0.135032D+02  0.138979D+02 -0.108843D+01 -0.109395D+01
      5   0.641256D+01  0.134248D+01 -0.116384D+01  0.415347D+01  0.786815D+01
      6   0.632042D-01  0.128646D+01  0.919450D+00  0.282854D+00  0.676945D+00
               161           162           163           164           165 
      1  -0.140459D+01  0.456244D+01 -0.135690D+01  0.581140D+01  0.676055D+00
      2   0.621997D+00 -0.405315D+01  0.277913D+01 -0.671187D+01 -0.697926D+00
      3   0.782589D+00 -0.509293D+00 -0.142223D+01  0.900466D+00  0.218718D-01
      4  -0.208012D+01  0.198024D+01 -0.524182D+00  0.540773D+00  0.539367D+00
      5   0.225241D+01  0.424086D+00  0.494449D+00 -0.285322D+00 -0.131439D+00
      6   0.134778D+01 -0.435253D+00  0.110498D+01 -0.352864D+00  0.303836D-01
               166           167           168           169           170 
      1   0.467356D+01 -0.268886D+02 -0.182550D+01  0.123930D+01 -0.441142D+01
      2  -0.515493D+00  0.444810D+02  0.315518D+01 -0.762871D+00  0.618794D+01
      3  -0.415806D+01 -0.175924D+02 -0.132969D+01 -0.476426D+00 -0.177652D+01
      4   0.758603D+01  0.245663D+02  0.143350D+01  0.126472D+01  0.379035D+01
      5  -0.205003D+00  0.253974D+01  0.310300D+01  0.137283D+01  0.273488D+01
      6  -0.157625D+00  0.339862D+01  0.522342D+01  0.774720D+00  0.688513D+01
               171           172           173           174           175 
      1  -0.377024D+01  0.720865D+02  0.221075D+01 -0.591982D+01  0.148514D+01
      2   0.370584D+01 -0.418239D+02 -0.546448D+00  0.676071D+01 -0.248678D+01
      3   0.643935D-01 -0.302626D+02 -0.166431D+01 -0.840890D+00  0.100164D+01
      4   0.260770D+01 -0.472040D+01  0.131890D+02  0.235667D+01  0.192050D+02
      5   0.203459D+00 -0.120087D+02  0.106951D+01  0.130796D+02  0.575316D+00
      6   0.128329D+01  0.313833D+01 -0.195795D+01  0.138174D+01 -0.121139D+01
               176           177           178           179           180 
      1   0.114998D+02  0.253821D+01 -0.198413D+02 -0.484746D+00  0.826429D+01
      2  -0.220203D+01  0.668108D+00  0.123251D+02 -0.410639D+00 -0.112036D+02
      3  -0.929777D+01 -0.320632D+01  0.751617D+01  0.895385D+00  0.293927D+01
      4  -0.276442D+02 -0.388794D+01  0.118249D+01 -0.501773D+01 -0.162455D+01
      5  -0.418276D+01 -0.325748D+01  0.195453D+02  0.344542D+00 -0.759312D+01
      6   0.149840D+01  0.679713D+01 -0.237893D+01  0.353199D+01  0.486815D-01
               181           182           183           184           185 
      1   0.311020D+01 -0.620367D+01 -0.272937D+01 -0.550662D+01 -0.180269D+02
      2   0.282206D+01  0.148590D+01  0.867489D+00 -0.421475D+01  0.429972D+02
      3  -0.593226D+01  0.471777D+01  0.186189D+01  0.972137D+01 -0.249703D+02
      4  -0.842981D+01  0.102605D+02  0.149318D+01  0.185480D+02 -0.477247D+02
      5  -0.251315D+01  0.421394D+00  0.235795D+01  0.274484D+00 -0.297482D+01
      6   0.161056D+01 -0.455139D+00 -0.813708D+00  0.212110D+00  0.177315D+01
               186           187           188           189           190 
      1  -0.155218D+01 -0.466438D+01 -0.279880D+01 -0.342747D+01  0.113278D+01
      2   0.386226D+01  0.117782D+01  0.609004D+01  0.309546D+01 -0.407676D+01
      3  -0.231008D+01  0.348656D+01 -0.329124D+01  0.332002D+00  0.294398D+01
      4  -0.343061D+01  0.405185D+01 -0.782684D+01 -0.643991D+01  0.603176D+00
      5  -0.527309D+01  0.354347D+01 -0.648294D+01  0.823464D+00  0.653232D+01
      6   0.614380D+01 -0.207896D+01  0.760848D+01  0.162374D+01 -0.209520D+01
               191           192           193           194           195 
      1   0.111817D+01  0.767143D+01  0.501475D+01 -0.417591D+01  0.103798D+01
      2  -0.107248D+01 -0.382531D+01 -0.378422D+01  0.308715D+01 -0.257515D+01
      3  -0.456893D-01 -0.384612D+01 -0.123053D+01  0.108876D+01  0.153717D+01
      4   0.148142D+01 -0.220733D+01  0.138793D+01 -0.431700D+01  0.456027D+01
      5  -0.673874D+00  0.590519D+01 -0.446456D-01  0.490617D+01  0.210219D+01
      6  -0.633243D+00  0.491921D+00  0.560009D+00 -0.193904D+01  0.455936D+01
               196           197           198           199           200 
      1   0.916650D+01  0.326183D+01 -0.187226D+02  0.182812D+01  0.280231D+01
      2  -0.701428D+01 -0.183839D+01 -0.135330D+02 -0.138590D+01 -0.163967D+01
      3  -0.215223D+01 -0.142344D+01  0.322556D+02 -0.442216D+00 -0.116263D+01
      4  -0.432633D+01  0.635435D+01 -0.617694D+01  0.267560D+01  0.181921D+01
      5   0.974323D+01 -0.611237D+01  0.446685D+02 -0.213654D+01 -0.668801D+00
      6  -0.259323D+01  0.762206D+01 -0.198790D+02 -0.226401D+01  0.995981D+00
               201           202           203           204           205 
      1  -0.369968D+01  0.635675D+00 -0.531469D+01  0.285277D+01 -0.412252D+01
      2   0.180295D+01  0.103004D+01  0.791899D+01 -0.476830D+01  0.120765D+01
      3   0.189673D+01 -0.166571D+01 -0.260429D+01  0.191553D+01  0.291487D+01
      4  -0.216654D+01  0.309393D+01  0.560027D+01 -0.370986D+01 -0.955442D+01
      5   0.765852D+00 -0.102267D+01 -0.339492D+01  0.461123D+01  0.653079D+01
      6  -0.196346D+01 -0.141407D+01 -0.598927D+01  0.778088D+01  0.573270D+01
               206           207           208           209           210 
      1   0.750161D+01 -0.110391D+02  0.189247D+01  0.690031D+01  0.916740D+00
      2  -0.862408D+01  0.246881D+01  0.306601D+00 -0.302116D+01 -0.312325D+00
      3   0.112248D+01  0.857033D+01 -0.219907D+01 -0.387914D+01 -0.604415D+00
      4  -0.122457D+02  0.107942D+02  0.701037D+01 -0.941217D-01 -0.279456D+00
      5   0.104582D+02 -0.244865D+02  0.694632D+00 -0.555261D+00  0.121789D+01
      6   0.152996D+02 -0.300143D+02 -0.144449D+00 -0.720038D-01  0.125566D+01
               211           212           213           214           215 
      1   0.247214D+02 -0.169133D+01 -0.205669D+01  0.204906D+01 -0.479581D+00
      2  -0.143725D+02  0.189519D+01  0.177812D+01 -0.107993D+01  0.445941D+00
      3  -0.103489D+02 -0.203865D+00  0.278570D+00 -0.969134D+00  0.336398D-01
      4  -0.984552D+00  0.350143D+02 -0.331254D+00 -0.494030D+00  0.121962D+01
      5  -0.246407D+01  0.145504D+00  0.761151D+01  0.431204D+01  0.282442D+01
      6   0.581369D+00 -0.104647D+01 -0.123171D+01  0.355020D+00  0.219586D+01
               216 
      1   0.124616D+01
      2  -0.213898D+01
      3   0.892821D+00
      4   0.230442D+01
      5  -0.233007D+01
      6   0.739252D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:58:26 2021, MaxMem=  5368709120 cpu:           21341.9 elap:            2668.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17937 -19.17678 -19.17247 -19.17203 -19.17023
 Alpha  occ. eigenvalues --  -19.13697 -10.31117 -10.26101 -10.26080 -10.26048
 Alpha  occ. eigenvalues --  -10.25858 -10.23786  -1.09617  -1.05864  -1.04756
 Alpha  occ. eigenvalues --   -1.02805  -1.02631  -1.00935  -0.80522  -0.78289
 Alpha  occ. eigenvalues --   -0.69676  -0.66970  -0.63951  -0.61506  -0.57823
 Alpha  occ. eigenvalues --   -0.56723  -0.54322  -0.52689  -0.51851  -0.51146
 Alpha  occ. eigenvalues --   -0.49342  -0.46895  -0.46291  -0.44215  -0.42796
 Alpha  occ. eigenvalues --   -0.41459  -0.40325  -0.40006  -0.38990  -0.37877
 Alpha  occ. eigenvalues --   -0.36561  -0.34217  -0.33115  -0.31847  -0.31072
 Alpha  occ. eigenvalues --   -0.30493  -0.28867  -0.27838
 Alpha virt. eigenvalues --   -0.00728  -0.00095   0.01379   0.02453   0.03569
 Alpha virt. eigenvalues --    0.04252   0.04985   0.05907   0.06807   0.07577
 Alpha virt. eigenvalues --    0.08807   0.09541   0.10024   0.10314   0.10994
 Alpha virt. eigenvalues --    0.11417   0.11656   0.12735   0.12933   0.13504
 Alpha virt. eigenvalues --    0.14309   0.14682   0.15061   0.15325   0.16263
 Alpha virt. eigenvalues --    0.16703   0.17481   0.17722   0.18523   0.18827
 Alpha virt. eigenvalues --    0.19726   0.20321   0.21488   0.21970   0.22351
 Alpha virt. eigenvalues --    0.22883   0.23246   0.24223   0.24466   0.24958
 Alpha virt. eigenvalues --    0.25253   0.25909   0.26370   0.27272   0.27788
 Alpha virt. eigenvalues --    0.28089   0.28458   0.28939   0.29704   0.30117
 Alpha virt. eigenvalues --    0.30790   0.30987   0.31950   0.32133   0.32532
 Alpha virt. eigenvalues --    0.33315   0.33442   0.33824   0.34180   0.34524
 Alpha virt. eigenvalues --    0.35002   0.35602   0.36234   0.36304   0.37377
 Alpha virt. eigenvalues --    0.37476   0.38260   0.38643   0.39935   0.40260
 Alpha virt. eigenvalues --    0.40753   0.41724   0.42038   0.42222   0.42605
 Alpha virt. eigenvalues --    0.43359   0.44763   0.45439   0.45504   0.45820
 Alpha virt. eigenvalues --    0.47288   0.47515   0.47952   0.48420   0.48785
 Alpha virt. eigenvalues --    0.49422   0.50505   0.51224   0.51752   0.52018
 Alpha virt. eigenvalues --    0.52822   0.53532   0.53745   0.54383   0.54969
 Alpha virt. eigenvalues --    0.55572   0.55738   0.55751   0.56438   0.57215
 Alpha virt. eigenvalues --    0.58070   0.58870   0.59250   0.59729   0.60061
 Alpha virt. eigenvalues --    0.60557   0.61070   0.61525   0.62478   0.62811
 Alpha virt. eigenvalues --    0.62910   0.63602   0.64528   0.65027   0.65221
 Alpha virt. eigenvalues --    0.66149   0.66841   0.67757   0.68492   0.68916
 Alpha virt. eigenvalues --    0.70033   0.70956   0.71804   0.72444   0.72689
 Alpha virt. eigenvalues --    0.73578   0.75123   0.75621   0.76363   0.76799
 Alpha virt. eigenvalues --    0.77674   0.78871   0.79267   0.79915   0.80580
 Alpha virt. eigenvalues --    0.81125   0.81678   0.82909   0.83350   0.84686
 Alpha virt. eigenvalues --    0.85531   0.86867   0.87322   0.88202   0.89470
 Alpha virt. eigenvalues --    0.90821   0.92782   0.93615   0.93757   0.96067
 Alpha virt. eigenvalues --    0.96540   0.98500   1.00799   1.01676   1.02407
 Alpha virt. eigenvalues --    1.02950   1.04492   1.06113   1.06690   1.08270
 Alpha virt. eigenvalues --    1.10400   1.11900   1.12492   1.13775   1.15279
 Alpha virt. eigenvalues --    1.17042   1.17963   1.20668   1.21131   1.23295
 Alpha virt. eigenvalues --    1.23725   1.25976   1.27585   1.29033   1.30882
 Alpha virt. eigenvalues --    1.31936   1.35485   1.37000   1.37738   1.39304
 Alpha virt. eigenvalues --    1.42206   1.43900   1.46618   1.49299   1.50190
 Alpha virt. eigenvalues --    1.52156   1.53674   1.54637   1.55770   1.57186
 Alpha virt. eigenvalues --    1.57652   1.59995   1.60497   1.62263   1.64068
 Alpha virt. eigenvalues --    1.65218   1.69188   1.69840   1.72182   1.72801
 Alpha virt. eigenvalues --    1.74021   1.75235   1.78444   1.80813   1.81772
 Alpha virt. eigenvalues --    1.82744   1.84372   1.85802   1.87039   1.89110
 Alpha virt. eigenvalues --    1.89568   1.91453   1.92080   1.92651   1.93968
 Alpha virt. eigenvalues --    1.94568   1.96104   1.96493   1.97917   1.99147
 Alpha virt. eigenvalues --    2.00881   2.01782   2.03876   2.05044   2.06151
 Alpha virt. eigenvalues --    2.07005   2.08873   2.09819   2.09946   2.12387
 Alpha virt. eigenvalues --    2.13392   2.16350   2.17736   2.18139   2.18837
 Alpha virt. eigenvalues --    2.19923   2.20606   2.22298   2.23404   2.24109
 Alpha virt. eigenvalues --    2.26059   2.26930   2.29212   2.29415   2.30836
 Alpha virt. eigenvalues --    2.32171   2.32900   2.34876   2.35470   2.35744
 Alpha virt. eigenvalues --    2.36687   2.38672   2.41221   2.41939   2.43672
 Alpha virt. eigenvalues --    2.44692   2.46185   2.48004   2.51436   2.54202
 Alpha virt. eigenvalues --    2.55198   2.58224   2.60364   2.63333   2.66803
 Alpha virt. eigenvalues --    2.70172   2.72062   2.80512   2.86297   2.89370
 Alpha virt. eigenvalues --    2.94160   2.97671   2.99260   3.02332   3.02670
 Alpha virt. eigenvalues --    3.03283   3.04421   3.05668   3.06135   3.06973
 Alpha virt. eigenvalues --    3.08162   3.10073   3.10581   3.12168   3.15439
 Alpha virt. eigenvalues --    3.16627   3.16824   3.19541   3.20624   3.21940
 Alpha virt. eigenvalues --    3.24504   3.26125   3.28178   3.30628   3.48795
 Alpha virt. eigenvalues --    3.53718   3.54679   3.57941   3.59692   3.66220
 Alpha virt. eigenvalues --    3.77855   3.92107   3.95233   3.96467   3.97383
 Alpha virt. eigenvalues --    4.01857
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.240162  -0.249768  -0.342368  -0.219232   0.039664  -0.050715
     2  C   -0.249768   6.214365  -0.027718  -0.049456  -0.055690  -0.312110
     3  C   -0.342368  -0.027718   6.297632  -0.049897  -0.205046  -0.057029
     4  C   -0.219232  -0.049456  -0.049897   6.499686  -0.644356   0.194040
     5  O    0.039664  -0.055690  -0.205046  -0.644356  10.006680  -0.586646
     6  C   -0.050715  -0.312110  -0.057029   0.194040  -0.586646   5.676934
     7  O   -0.004936  -0.085770  -0.160425   0.024563   0.031675   0.011548
     8  H    0.389512  -0.043838  -0.006674  -0.090909   0.033118  -0.019078
     9  O   -0.088221  -0.042936  -0.033267  -0.011863   0.074963  -0.061492
    10  H    0.174542   0.257050  -0.073674  -0.002801  -0.082490   0.157811
    11  H    0.026754  -0.035779   0.328077   0.041933  -0.169397   0.046104
    12  O   -0.059850  -0.014282  -0.162450  -0.047743   0.078000  -0.014313
    13  C    0.051298  -0.024037  -0.239343   0.100753   0.051987  -0.007026
    14  H   -0.069397   0.011428   0.310345   0.228483  -0.126936  -0.040117
    15  O    0.017627  -0.014189  -0.018258  -0.043837   0.015356  -0.183211
    16  H   -0.089958   0.207349   0.016640   0.035260  -0.067189   0.259596
    17  H    0.045723  -0.035081   0.063585   0.007917  -0.006130   0.009277
    18  H    0.042698   0.046322   0.004778   0.002040   0.001078  -0.008883
    19  H   -0.046400   0.012698   0.086219   0.033240  -0.000101  -0.000138
    20  O    0.010211  -0.002843  -0.008947  -0.059177   0.056358  -0.003055
    21  H   -0.005819   0.001523   0.068736   0.055706   0.022240   0.004793
    22  H   -0.013752   0.007200   0.042864   0.158086  -0.099770  -0.002789
    23  H   -0.001791  -0.008603   0.003279  -0.010403   0.034201   0.081649
    24  H    0.000325  -0.000206  -0.019300  -0.019087   0.000369   0.001656
               7          8          9         10         11         12
     1  C   -0.004936   0.389512  -0.088221   0.174542   0.026754  -0.059850
     2  C   -0.085770  -0.043838  -0.042936   0.257050  -0.035779  -0.014282
     3  C   -0.160425  -0.006674  -0.033267  -0.073674   0.328077  -0.162450
     4  C    0.024563  -0.090909  -0.011863  -0.002801   0.041933  -0.047743
     5  O    0.031675   0.033118   0.074963  -0.082490  -0.169397   0.078000
     6  C    0.011548  -0.019078  -0.061492   0.157811   0.046104  -0.014313
     7  O    8.328672  -0.077398   0.061158  -0.062552  -0.122335   0.063566
     8  H   -0.077398   1.022776  -0.076931   0.028891   0.042343  -0.044660
     9  O    0.061158  -0.076931   8.331762  -0.099715  -0.009819   0.014104
    10  H   -0.062552   0.028891  -0.099715   1.006809  -0.018701  -0.005098
    11  H   -0.122335   0.042343  -0.009819  -0.018701   1.299724  -0.129266
    12  O    0.063566  -0.044660   0.014104  -0.005098  -0.129266   8.281377
    13  C    0.007936   0.002070   0.003330   0.001008  -0.071694   0.053549
    14  H    0.001620  -0.055089  -0.002953  -0.004556   0.043836  -0.060410
    15  O    0.001479   0.006282   0.001196  -0.022216  -0.004540   0.002842
    16  H    0.005163  -0.039171  -0.061692   0.006224   0.001787  -0.003822
    17  H    0.181530   0.002404  -0.003623   0.001093   0.007806  -0.004445
    18  H   -0.001942   0.004708   0.183674  -0.010148   0.000391  -0.000342
    19  H   -0.000224   0.009749   0.000574   0.001130  -0.003451   0.183720
    20  O   -0.001272   0.001352   0.000264  -0.000231   0.012334  -0.020664
    21  H   -0.000075  -0.000372  -0.000078  -0.000166   0.005055  -0.003683
    22  H    0.001111  -0.001206  -0.000304  -0.000344  -0.034153  -0.011728
    23  H    0.000726   0.001151   0.008097  -0.023964   0.000606  -0.000162
    24  H    0.000359  -0.000579  -0.000051   0.000116  -0.008785   0.073826
              13         14         15         16         17         18
     1  C    0.051298  -0.069397   0.017627  -0.089958   0.045723   0.042698
     2  C   -0.024037   0.011428  -0.014189   0.207349  -0.035081   0.046322
     3  C   -0.239343   0.310345  -0.018258   0.016640   0.063585   0.004778
     4  C    0.100753   0.228483  -0.043837   0.035260   0.007917   0.002040
     5  O    0.051987  -0.126936   0.015356  -0.067189  -0.006130   0.001078
     6  C   -0.007026  -0.040117  -0.183211   0.259596   0.009277  -0.008883
     7  O    0.007936   0.001620   0.001479   0.005163   0.181530  -0.001942
     8  H    0.002070  -0.055089   0.006282  -0.039171   0.002404   0.004708
     9  O    0.003330  -0.002953   0.001196  -0.061692  -0.003623   0.183674
    10  H    0.001008  -0.004556  -0.022216   0.006224   0.001093  -0.010148
    11  H   -0.071694   0.043836  -0.004540   0.001787   0.007806   0.000391
    12  O    0.053549  -0.060410   0.002842  -0.003822  -0.004445  -0.000342
    13  C    4.563392  -0.121646  -0.005363  -0.000243  -0.000141   0.000037
    14  H   -0.121646   1.085069  -0.009849   0.041824   0.000154   0.000631
    15  O   -0.005363  -0.009849   8.630251  -0.088064  -0.000302  -0.000613
    16  H   -0.000243   0.041824  -0.088064   1.096312   0.000202  -0.000435
    17  H   -0.000141   0.000154  -0.000302   0.000202   0.609110   0.000879
    18  H    0.000037   0.000631  -0.000613  -0.000435   0.000879   0.599534
    19  H   -0.006806  -0.001204  -0.000176   0.000084  -0.000479  -0.000038
    20  O    0.052470  -0.019316   0.001071  -0.000664  -0.000018  -0.000009
    21  H    0.118000   0.016688  -0.001736   0.001535   0.000001   0.000002
    22  H    0.245074   0.020187  -0.002168   0.001114   0.000017   0.000012
    23  H    0.000330  -0.000873   0.085282   0.009266  -0.000051   0.002437
    24  H    0.018695   0.009320  -0.000032   0.000269  -0.000016  -0.000000
              19         20         21         22         23         24
     1  C   -0.046400   0.010211  -0.005819  -0.013752  -0.001791   0.000325
     2  C    0.012698  -0.002843   0.001523   0.007200  -0.008603  -0.000206
     3  C    0.086219  -0.008947   0.068736   0.042864   0.003279  -0.019300
     4  C    0.033240  -0.059177   0.055706   0.158086  -0.010403  -0.019087
     5  O   -0.000101   0.056358   0.022240  -0.099770   0.034201   0.000369
     6  C   -0.000138  -0.003055   0.004793  -0.002789   0.081649   0.001656
     7  O   -0.000224  -0.001272  -0.000075   0.001111   0.000726   0.000359
     8  H    0.009749   0.001352  -0.000372  -0.001206   0.001151  -0.000579
     9  O    0.000574   0.000264  -0.000078  -0.000304   0.008097  -0.000051
    10  H    0.001130  -0.000231  -0.000166  -0.000344  -0.023964   0.000116
    11  H   -0.003451   0.012334   0.005055  -0.034153   0.000606  -0.008785
    12  O    0.183720  -0.020664  -0.003683  -0.011728  -0.000162   0.073826
    13  C   -0.006806   0.052470   0.118000   0.245074   0.000330   0.018695
    14  H   -0.001204  -0.019316   0.016688   0.020187  -0.000873   0.009320
    15  O   -0.000176   0.001071  -0.001736  -0.002168   0.085282  -0.000032
    16  H    0.000084  -0.000664   0.001535   0.001114   0.009266   0.000269
    17  H   -0.000479  -0.000018   0.000001   0.000017  -0.000051  -0.000016
    18  H   -0.000038  -0.000009   0.000002   0.000012   0.002437  -0.000000
    19  H    0.630567  -0.001674  -0.000138   0.003685   0.000015  -0.008553
    20  O   -0.001674   8.120880  -0.016934  -0.023315  -0.000008   0.287295
    21  H   -0.000138  -0.016934   1.015254  -0.036959   0.000303   0.006181
    22  H    0.003685  -0.023315  -0.036959   0.919885  -0.000011  -0.006631
    23  H    0.000015  -0.000008   0.000303  -0.000011   0.673061   0.000007
    24  H   -0.008553   0.287295   0.006181  -0.006631   0.000007   0.497288
 Mulliken charges:
               1
     1  C    0.203692
     2  C    0.244371
     3  C    0.182242
     4  C   -0.132944
     5  O   -0.401941
     6  C    0.903195
     7  O   -0.204177
     8  H   -0.088452
     9  O   -0.186179
    10  H   -0.228020
    11  H   -0.248831
    12  O   -0.168065
    13  C    1.206369
    14  H   -0.257242
    15  O   -0.366832
    16  H   -0.331387
    17  H    0.120589
    18  H    0.133190
    19  H    0.107699
    20  O   -0.384107
    21  H   -0.250058
    22  H   -0.166104
    23  H    0.145458
    24  H    0.167534
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.115241
     2  C    0.016351
     3  C   -0.066589
     4  C   -0.390186
     5  O   -0.401941
     6  C    0.571808
     7  O   -0.083589
     9  O   -0.052989
    12  O   -0.060366
    13  C    0.790207
    15  O   -0.221374
    20  O   -0.216573
 Electronic spatial extent (au):  <R**2>=           2207.5111
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.8986    Y=              0.9390    Z=              1.3579  Tot=              3.3358
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.8190   YY=            -73.5121   ZZ=            -70.3622
   XY=              2.5738   XZ=             -0.0626   YZ=             -3.0212
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.5879   YY=              1.7190   ZZ=              4.8689
   XY=              2.5738   XZ=             -0.0626   YZ=             -3.0212
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -69.6981  YYY=             23.1278  ZZZ=              2.2022  XYY=              5.7065
  XXY=             12.8413  XXZ=             19.0673  XZZ=             -5.7835  YZZ=             -6.9546
  YYZ=              3.2910  XYZ=              6.5123
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1792.5499 YYYY=           -881.6739 ZZZZ=           -147.1017 XXXY=             72.0681
 XXXZ=              4.8141 YYYX=            -18.0354 YYYZ=            -30.4828 ZZZX=             -4.6425
 ZZZY=             -5.8925 XXYY=           -403.2810 XXZZ=           -300.9286 YYZZ=           -170.7590
 XXYZ=            -16.6093 YYXZ=            -12.1251 ZZXY=             16.9795
 N-N= 8.277809805639D+02 E-N=-3.263816704986D+03  KE= 6.804439526643D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:58:27 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13522586D+00 3.98649781D-01 5.37424069D-01
 Polarizability= 1.05978568D+02 1.14144168D+00 9.45385685D+01
                -2.54044739D-01-1.48328991D+00 7.80443162D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1764    0.1761        0.5716    0.5722
 2     -0.1764   -0.1761        0.8825    0.8832       -5.8647   -5.8641
 3     -0.5716   -0.5722       14.4013   14.3979       -0.8840   -0.8832
 4     -0.8825   -0.8832       -0.0000    0.0000       -0.5730   -0.5722
 5     -8.5365   -8.5338        0.5730    0.5722        0.1749    0.1761
 6      0.8840    0.8832       -0.1749   -0.1761       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.5284   -0.5284        1.7167    1.7167
 2     -2.6496   -2.6496       -0.0000    0.0000        1.7167    1.7167
 3     -2.6496   -2.6496       -0.5284   -0.5284       -0.0000    0.0000
 4     -0.5284   -0.5284        2.6496    2.6496      -17.5922  -17.5922
 5     -1.7167   -1.7167       43.1936   43.1936       -2.6496   -2.6496
 6    -25.6015  -25.6015        1.7167    1.7167        0.5284    0.5284
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0034    0.0000       -0.6602   -0.7045       -2.2837   -2.2889
 2      0.7312    0.7045       -3.4737   -3.5328       23.3896   23.4563
 3      2.3340    2.2889      -57.5580  -57.5915        3.4891    3.5328
 4      3.4750    3.5328        0.0046    0.0000        2.3262    2.2889
 5     34.1273   34.1353       -2.3371   -2.2889       -0.7251   -0.7045
 6     -3.4868   -3.5328        0.7585    0.7045       -0.0165    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0785    0.0000        0.5592    0.5019        8.4822    8.5157
 2     -0.5712   -0.5019       -6.6080   -6.6346       -4.5490   -4.5117
 3     -8.5673   -8.5157        6.7712    6.7840        6.9202    6.6346
 4      6.6716    6.6346       -0.0075    0.0000       -8.5215   -8.5157
 5     -2.2958   -2.2723        8.6107    8.5157        0.3086    0.5019
 6     -6.5717   -6.6346       -0.5427   -0.5019        0.0257    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.2731  -18.4227        7.3317    7.3620      -22.2128  -22.1633
 2    -15.4217  -15.4963       10.4836   10.4651      -22.2366  -22.1633
 3    -15.3446  -15.4963        7.3180    7.3620      -30.0101  -29.9667
 4     -3.1375   -3.1032       -2.9443   -2.9263       -1.5473   -1.5389
 5     -7.8928   -7.8033        7.6951    7.6498        3.2519    2.9263
 6     -6.1525   -6.1109        7.8862    7.8033        2.8899    3.1032
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6732   -2.7070    0.0003    0.0006    0.0010    6.4737
 Low frequencies ---   67.8553  106.8782  118.5166
 Diagonal vibrational polarizability:
       65.1609274      43.8493010      55.7031364
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     67.8544               106.8782               118.5160
 Red. masses --      7.1080                 4.8062                 5.5030
 Frc consts  --      0.0193                 0.0323                 0.0455
 IR Inten    --      0.6705                 1.1044                 3.0340
 RamAct Fr= 1--      0.0327                 0.0357                 0.0104
  Dep-P Fr= 1--      0.7500                 0.7500                 0.5948
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7459
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0047                 0.0051                 0.0013
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--      0.0061                 0.0660                -0.0219
 Delta2 Fr= 1--      0.0184                 0.0427                -0.0251
 Raman1 Fr= 1--       0.131                  0.143                  0.042
 ROA1   Fr= 1--       1.176                  7.701                 -2.904
 CID1   Fr= 1--       8.979                 53.983                -69.732
 Raman2 Fr= 1--       0.056                  0.061                  0.016
 ROA2   Fr= 1--      -0.000                  1.242                 -0.325
 CID2   Fr= 1--      -0.005                 20.308                -20.927
 Raman3 Fr= 1--       0.112                  0.122                  0.031
 ROA3   Fr= 1--       1.176                  7.701                 -2.904
 CID3   Fr= 1--      10.476                 62.981                -93.488
 RC180  Fr= 1--       0.714                  0.714                  0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.03  -0.08     0.01   0.02   0.05
     2   6     0.03  -0.01   0.09     0.02   0.01  -0.00    -0.03   0.01  -0.08
     3   6     0.03   0.01  -0.14    -0.02  -0.06   0.02     0.03  -0.03  -0.07
     4   6     0.02  -0.02  -0.09    -0.00  -0.00  -0.11    -0.02  -0.03  -0.09
     5   8    -0.00  -0.02  -0.15     0.01  -0.05  -0.17    -0.01  -0.00  -0.01
     6   6    -0.02   0.03  -0.07    -0.05  -0.02   0.00    -0.03  -0.04   0.04
     7   8     0.03  -0.00  -0.00     0.04   0.02  -0.21     0.05  -0.06   0.27
     8   1    -0.13  -0.02  -0.02     0.07  -0.13  -0.09    -0.03   0.18   0.06
     9   8    -0.06   0.02   0.31    -0.01   0.02   0.08     0.05   0.02  -0.26
    10   1     0.20  -0.09   0.10     0.09   0.04   0.00    -0.17   0.05  -0.08
    11   1     0.13   0.09  -0.14    -0.13  -0.19   0.02     0.12  -0.03  -0.07
    12   8    -0.02  -0.01  -0.30     0.02   0.01   0.25    -0.02  -0.01  -0.15
    13   6    -0.05  -0.03   0.08    -0.01  -0.06  -0.15    -0.02  -0.06  -0.12
    14   1     0.11  -0.03  -0.08    -0.01   0.10  -0.11    -0.08  -0.03  -0.09
    15   8    -0.00  -0.00  -0.13    -0.01   0.02   0.19    -0.01   0.01   0.21
    16   1    -0.07   0.14  -0.07    -0.22  -0.07   0.00    -0.10  -0.15   0.04
    17   1    -0.01  -0.03   0.12     0.02  -0.02  -0.20     0.10   0.07   0.22
    18   1    -0.01  -0.02   0.30    -0.03   0.07   0.18    -0.03   0.10  -0.19
    19   1     0.01  -0.00  -0.27    -0.09  -0.01   0.21     0.03  -0.02  -0.05
    20   8     0.06   0.05   0.36     0.01   0.13   0.10    -0.00   0.14   0.15
    21   1     0.02  -0.01  -0.01     0.06  -0.00  -0.39     0.07  -0.00  -0.36
    22   1    -0.26  -0.14   0.09    -0.11  -0.33  -0.12    -0.14  -0.33  -0.09
    23   1     0.08  -0.13  -0.16     0.16   0.04   0.17     0.01   0.17   0.23
    24   1    -0.04   0.04   0.28    -0.06   0.11   0.27    -0.14   0.12   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    164.5387               209.8577               231.1682
 Red. masses --      4.6463                 3.1841                 3.0105
 Frc consts  --      0.0741                 0.0826                 0.0948
 IR Inten    --      6.7103                 3.2488                14.5537
 RamAct Fr= 1--      0.0996                 0.1653                 0.2036
  Dep-P Fr= 1--      0.3444                 0.6740                 0.7499
  Dep-U Fr= 1--      0.5124                 0.8052                 0.8571
 Alpha2 Fr= 1--      0.0009                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0085                 0.0222                 0.0291
 AlphaG Fr= 1--     -0.0007                -0.0018                 0.0001
 Gamma2 Fr= 1--     -0.0006                -0.0280                 0.0469
 Delta2 Fr= 1--     -0.0366                 0.0253                 0.0450
 Raman1 Fr= 1--       0.398                  0.661                  0.814
 ROA1   Fr= 1--      -1.227                 -1.880                  5.939
 CID1   Fr= 1--      -3.081                 -2.843                  7.293
 Raman2 Fr= 1--       0.102                  0.266                  0.349
 ROA2   Fr= 1--       0.278                 -0.875                  0.766
 CID2   Fr= 1--       2.727                 -3.287                  2.194
 Raman3 Fr= 1--       0.204                  0.532                  0.698
 ROA3   Fr= 1--      -1.227                 -1.880                  5.939
 CID3   Fr= 1--      -6.012                 -3.530                  8.510
 RC180  Fr= 1--       0.025                  0.610                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.02     0.01   0.00  -0.05     0.04  -0.05   0.01
     2   6    -0.00  -0.01   0.06     0.02   0.00  -0.04     0.03  -0.03  -0.02
     3   6     0.03  -0.07   0.04    -0.04  -0.07  -0.05     0.03  -0.00   0.03
     4   6    -0.03  -0.10   0.08     0.01  -0.06  -0.01    -0.00  -0.01   0.04
     5   8    -0.04  -0.03   0.21    -0.01  -0.10  -0.12    -0.02  -0.02  -0.01
     6   6     0.01  -0.00   0.05    -0.03  -0.02  -0.04    -0.04  -0.05  -0.03
     7   8     0.13   0.00  -0.08     0.12  -0.02   0.07    -0.16  -0.09  -0.03
     8   1     0.05  -0.14   0.02    -0.02   0.07  -0.04     0.08  -0.07   0.01
     9   8     0.03   0.02   0.03    -0.01  -0.02   0.01     0.10   0.25   0.00
    10   1    -0.02   0.00   0.06     0.06   0.00  -0.04     0.02  -0.06  -0.02
    11   1     0.06  -0.02   0.04    -0.09  -0.09  -0.05     0.05   0.04   0.03
    12   8    -0.00  -0.07  -0.03     0.01  -0.09   0.03     0.05  -0.04  -0.04
    13   6     0.05  -0.03  -0.08     0.03   0.17   0.17     0.01   0.03   0.04
    14   1    -0.16  -0.15   0.07     0.15  -0.10  -0.01     0.03   0.00   0.04
    15   8    -0.09  -0.00  -0.18    -0.08   0.06   0.05     0.01  -0.07   0.02
    16   1     0.19   0.07   0.05    -0.10  -0.05  -0.04    -0.05  -0.07  -0.03
    17   1     0.18   0.08  -0.16     0.15   0.11   0.09    -0.33  -0.42   0.21
    18   1     0.04  -0.02  -0.12     0.02  -0.04   0.04    -0.18   0.55   0.27
    19   1    -0.05  -0.06  -0.11     0.05  -0.09   0.09     0.13  -0.02  -0.00
    20   8    -0.10   0.29  -0.02    -0.05   0.11  -0.06    -0.04   0.06  -0.02
    21   1     0.21   0.03  -0.30     0.15   0.10   0.52     0.05   0.02   0.09
    22   1     0.09  -0.25  -0.07     0.03   0.54   0.14     0.04   0.08   0.04
    23   1    -0.34  -0.03  -0.15    -0.01   0.08   0.05     0.14  -0.13  -0.01
    24   1    -0.33   0.25   0.05    -0.10   0.12  -0.20    -0.09   0.06  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    248.9065               283.5834               296.9521
 Red. masses --      2.5540                 2.0853                 3.8093
 Frc consts  --      0.0932                 0.0988                 0.1979
 IR Inten    --      0.9732                24.0543                 4.7254
 RamAct Fr= 1--      0.5923                 0.4610                 0.6300
  Dep-P Fr= 1--      0.6619                 0.6200                 0.6915
  Dep-U Fr= 1--      0.7966                 0.7654                 0.8176
 Alpha2 Fr= 1--      0.0009                 0.0011                 0.0006
 Beta2  Fr= 1--      0.0786                 0.0588                 0.0858
 AlphaG Fr= 1--     -0.0004                 0.0002                 0.0014
 Gamma2 Fr= 1--     -0.1328                 0.1480                -0.0406
 Delta2 Fr= 1--     -0.1503                 0.1467                 0.0488
 Raman1 Fr= 1--       2.369                  1.844                  2.520
 ROA1   Fr= 1--     -17.552                 18.900                 -2.341
 CID1   Fr= 1--      -7.408                 10.250                 -0.929
 Raman2 Fr= 1--       0.944                  0.706                  1.030
 ROA2   Fr= 1--      -1.984                  2.378                 -1.365
 CID2   Fr= 1--      -2.103                  3.369                 -1.325
 Raman3 Fr= 1--       1.887                  1.411                  2.060
 ROA3   Fr= 1--     -17.552                 18.900                 -2.341
 CID3   Fr= 1--      -9.300                 13.391                 -1.136
 RC180  Fr= 1--       0.593                  0.531                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.05    -0.01   0.08  -0.04    -0.01  -0.01  -0.18
     2   6    -0.08   0.01   0.05    -0.00   0.03  -0.03    -0.02  -0.01  -0.13
     3   6    -0.02  -0.03   0.01    -0.01   0.02  -0.02    -0.01  -0.03  -0.18
     4   6     0.00   0.00  -0.00    -0.05   0.01   0.00     0.01  -0.04  -0.08
     5   8    -0.01   0.02  -0.03    -0.02   0.03   0.04    -0.03   0.12   0.18
     6   6    -0.04   0.00   0.02     0.02   0.02  -0.01     0.00  -0.04  -0.03
     7   8     0.17   0.02  -0.01    -0.01   0.06   0.01     0.09  -0.10   0.06
     8   1    -0.04  -0.09   0.04    -0.02   0.11  -0.03    -0.08   0.13  -0.17
     9   8    -0.02   0.09  -0.06    -0.04  -0.07  -0.01    -0.09   0.07   0.08
    10   1    -0.16   0.01   0.04     0.02   0.05  -0.03     0.13   0.02  -0.12
    11   1     0.01  -0.05   0.02    -0.05   0.03  -0.02    -0.16  -0.13  -0.18
    12   8    -0.11   0.05  -0.00     0.13  -0.12   0.01    -0.00   0.09   0.10
    13   6    -0.01   0.01   0.03    -0.06  -0.00  -0.02     0.00   0.00  -0.01
    14   1     0.03   0.01  -0.00    -0.07  -0.02   0.00    -0.05  -0.25  -0.09
    15   8     0.11  -0.13  -0.00     0.07  -0.03  -0.00     0.04  -0.07  -0.02
    16   1    -0.07   0.07   0.02     0.04   0.03  -0.01     0.14  -0.18  -0.02
    17   1     0.30   0.26  -0.19    -0.05   0.02   0.12    -0.01  -0.10   0.38
    18   1    -0.18   0.28   0.14    -0.04  -0.02   0.26    -0.13   0.14   0.23
    19   1    -0.30   0.03  -0.15     0.38  -0.08   0.18    -0.04   0.02   0.34
    20   8    -0.02  -0.03  -0.01    -0.07   0.03   0.01     0.03  -0.02   0.01
    21   1    -0.01  -0.01   0.09    -0.06   0.01  -0.05     0.03  -0.01   0.06
    22   1    -0.01   0.07   0.03    -0.07  -0.04  -0.01    -0.06   0.07  -0.02
    23   1     0.44  -0.43  -0.10     0.58  -0.48  -0.14    -0.24   0.22   0.07
    24   1     0.01  -0.02  -0.03    -0.13   0.02  -0.01     0.09  -0.02   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    330.3392               337.7996               372.3144
 Red. masses --      1.9277                 5.5535                 1.3552
 Frc consts  --      0.1239                 0.3734                 0.1107
 IR Inten    --     56.4263                 3.4468                80.4127
 RamAct Fr= 1--      0.5157                 4.2941                 1.0953
  Dep-P Fr= 1--      0.1440                 0.3792                 0.5337
  Dep-U Fr= 1--      0.2518                 0.5499                 0.6959
 Alpha2 Fr= 1--      0.0081                 0.0342                 0.0046
 Beta2  Fr= 1--      0.0216                 0.3935                 0.1270
 AlphaG Fr= 1--     -0.0120                -0.0115                 0.0038
 Gamma2 Fr= 1--      0.1437                 0.0958                 0.0644
 Delta2 Fr= 1--      0.1892                 0.2628                 0.2485
 Raman1 Fr= 1--       2.063                 17.176                  4.381
 ROA1   Fr= 1--      19.851                 17.603                 14.140
 CID1   Fr= 1--       9.624                  1.025                  3.227
 Raman2 Fr= 1--       0.260                  4.722                  1.524
 ROA2   Fr= 1--       1.936                  0.196                 -0.442
 CID2   Fr= 1--       7.456                  0.042                 -0.290
 Raman3 Fr= 1--       0.519                  9.445                  3.049
 ROA3   Fr= 1--      19.851                 17.603                 14.140
 CID3   Fr= 1--      38.220                  1.864                  4.638
 RC180  Fr= 1--      -0.496                  0.100                  0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.03    -0.11  -0.02   0.04    -0.01  -0.01   0.03
     2   6     0.04   0.01  -0.02    -0.17   0.05   0.07    -0.01   0.01   0.07
     3   6     0.00  -0.01  -0.01    -0.07  -0.09  -0.01    -0.01  -0.02  -0.01
     4   6     0.03  -0.04   0.02     0.05  -0.02  -0.04    -0.01   0.00  -0.04
     5   8    -0.00  -0.03   0.03     0.00   0.02   0.04     0.01  -0.00  -0.02
     6   6     0.02   0.03  -0.01    -0.06   0.07   0.07     0.00   0.02   0.05
     7   8     0.01  -0.03  -0.00    -0.06   0.02  -0.03     0.06   0.04  -0.06
     8   1     0.03   0.00  -0.03    -0.15  -0.07   0.03    -0.06  -0.07   0.02
     9   8     0.03  -0.06  -0.03    -0.14   0.05  -0.06     0.02  -0.00  -0.03
    10   1     0.05   0.01  -0.02    -0.27   0.10   0.06    -0.08   0.03   0.07
    11   1    -0.01  -0.00  -0.01    -0.06  -0.14  -0.01     0.02  -0.05  -0.01
    12   8    -0.08   0.09   0.01     0.00  -0.19   0.00    -0.02   0.00   0.00
    13   6     0.04  -0.04   0.01     0.22   0.08  -0.07    -0.03   0.01   0.00
    14   1     0.02  -0.07   0.03    -0.02  -0.03  -0.04    -0.01  -0.01  -0.04
    15   8    -0.10   0.14   0.00    -0.07   0.04  -0.03     0.03  -0.02  -0.01
    16   1     0.06   0.04  -0.01    -0.03   0.16   0.07    -0.03   0.09   0.05
    17   1    -0.16  -0.23   0.35    -0.11  -0.04   0.07    -0.30  -0.37   0.73
    18   1    -0.04   0.09   0.40    -0.23   0.17   0.13     0.08  -0.12  -0.32
    19   1    -0.26   0.06  -0.12     0.19  -0.16   0.13     0.05  -0.01   0.15
    20   8     0.01  -0.01  -0.01     0.35   0.02   0.02    -0.02  -0.01   0.01
    21   1     0.05  -0.04  -0.03     0.24   0.08  -0.05    -0.03   0.00   0.05
    22   1     0.07  -0.07   0.01     0.19   0.10  -0.08    -0.07   0.06  -0.00
    23   1     0.48  -0.43  -0.17     0.03  -0.18  -0.08    -0.10   0.03   0.02
    24   1     0.02  -0.01   0.04     0.37   0.02  -0.01    -0.03  -0.01  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    393.1700               398.2934               404.0285
 Red. masses --      2.8965                 1.4087                 1.2721
 Frc consts  --      0.2638                 0.1317                 0.1224
 IR Inten    --      0.9543                80.3503               176.2038
 RamAct Fr= 1--      0.5854                 1.0523                 1.0961
  Dep-P Fr= 1--      0.6410                 0.7263                 0.5421
  Dep-U Fr= 1--      0.7813                 0.8415                 0.7030
 Alpha2 Fr= 1--      0.0012                 0.0004                 0.0044
 Beta2  Fr= 1--      0.0762                 0.1476                 0.1284
 AlphaG Fr= 1--      0.0032                 0.0011                 0.0016
 Gamma2 Fr= 1--      0.6656                -0.5360                -0.3483
 Delta2 Fr= 1--      0.2541                -0.6108                -0.3138
 Raman1 Fr= 1--       2.341                  4.209                  4.384
 ROA1   Fr= 1--      72.029                -71.002                -43.473
 CID1   Fr= 1--      30.763                -16.868                 -9.915
 Raman2 Fr= 1--       0.915                  1.771                  1.541
 ROA2   Fr= 1--      13.942                 -7.977                 -5.848
 CID2   Fr= 1--      15.243                 -4.504                 -3.795
 Raman3 Fr= 1--       1.829                  3.542                  3.082
 ROA3   Fr= 1--      72.029                -71.002                -43.473
 CID3   Fr= 1--      39.376                -20.046                -14.104
 RC180  Fr= 1--       0.563                  0.683                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.02     0.02  -0.05   0.01    -0.01   0.02   0.02
     2   6     0.06  -0.01   0.14    -0.03   0.00   0.00     0.00  -0.01  -0.00
     3   6     0.01  -0.00  -0.13     0.04  -0.00   0.01    -0.02   0.01   0.03
     4   6    -0.05  -0.02  -0.16     0.05  -0.01   0.03     0.00   0.01   0.03
     5   8     0.02  -0.04   0.04    -0.02   0.04  -0.02     0.03  -0.03  -0.02
     6   6    -0.01  -0.01   0.13    -0.03   0.03  -0.01     0.02  -0.02  -0.00
     7   8    -0.06  -0.01   0.01    -0.01  -0.06  -0.01     0.03   0.05  -0.02
     8   1    -0.15  -0.03   0.01     0.05  -0.07   0.01     0.02   0.00   0.02
     9   8     0.15  -0.02  -0.04    -0.03   0.01   0.01     0.01  -0.05  -0.04
    10   1    -0.00   0.09   0.14    -0.03  -0.01   0.00    -0.01  -0.00  -0.00
    11   1     0.04  -0.16  -0.13     0.08   0.02   0.00     0.01   0.04   0.03
    12   8     0.03   0.07   0.04    -0.02   0.06  -0.05    -0.05   0.01  -0.04
    13   6    -0.08   0.09  -0.03     0.04  -0.04   0.03     0.00  -0.02   0.00
    14   1    -0.13  -0.14  -0.17     0.09  -0.02   0.03     0.02   0.05   0.03
    15   8    -0.09  -0.02  -0.05    -0.02   0.02   0.02     0.01  -0.01  -0.02
    16   1    -0.01   0.11   0.12    -0.05   0.03  -0.01     0.01  -0.01  -0.00
    17   1     0.12   0.16  -0.41     0.06   0.01  -0.17     0.00   0.03   0.05
    18   1     0.04   0.12   0.10     0.08  -0.16  -0.32    -0.20   0.28   0.64
    19   1     0.10   0.01   0.37     0.33  -0.02   0.76     0.21  -0.02   0.46
    20   8     0.01  -0.02   0.03    -0.01   0.01  -0.01    -0.01  -0.01  -0.00
    21   1    -0.04   0.04   0.17     0.05  -0.04   0.01    -0.02  -0.01  -0.04
    22   1    -0.23   0.27  -0.04     0.07  -0.05   0.03     0.03  -0.06   0.01
    23   1    -0.07  -0.30  -0.10     0.21  -0.14  -0.04    -0.30   0.27   0.07
    24   1     0.10  -0.01   0.03    -0.09   0.00  -0.06    -0.06  -0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.9287               446.3458               478.9638
 Red. masses --      5.0904                 3.3305                 4.6820
 Frc consts  --      0.5314                 0.3909                 0.6328
 IR Inten    --      7.6571                21.1170                 4.8787
 RamAct Fr= 1--      5.2080                 3.4101                 9.2605
  Dep-P Fr= 1--      0.4377                 0.3062                 0.0729
  Dep-U Fr= 1--      0.6089                 0.4689                 0.1358
 Alpha2 Fr= 1--      0.0335                 0.0343                 0.1732
 Beta2  Fr= 1--      0.5285                 0.2665                 0.2097
 AlphaG Fr= 1--      0.0010                 0.0091                -0.0179
 Gamma2 Fr= 1--      0.5719                -0.6331                -0.1407
 Delta2 Fr= 1--      0.1604                -0.2102                -0.2498
 Raman1 Fr= 1--      20.832                 13.640                 37.042
 ROA1   Fr= 1--      60.036                -67.506                -21.501
 CID1   Fr= 1--       2.882                 -4.949                 -0.580
 Raman2 Fr= 1--       6.342                  3.198                  2.516
 ROA2   Fr= 1--      12.443                -13.514                 -1.379
 CID2   Fr= 1--       1.962                 -4.226                 -0.548
 Raman3 Fr= 1--      12.684                  6.396                  5.032
 ROA3   Fr= 1--      60.036                -67.506                -21.501
 CID3   Fr= 1--       4.733                -10.555                 -4.273
 RC180  Fr= 1--       0.218                 -0.062                 -0.728
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.08   0.05     0.00  -0.10   0.04    -0.04   0.13  -0.03
     2   6    -0.06  -0.09   0.01    -0.07   0.03   0.09    -0.05   0.08   0.04
     3   6     0.15   0.12   0.07     0.08  -0.07  -0.04     0.07   0.04  -0.13
     4   6    -0.00   0.13   0.02     0.07  -0.04  -0.07     0.10  -0.17   0.04
     5   8    -0.09   0.11  -0.04     0.01   0.14  -0.04    -0.00  -0.15  -0.06
     6   6    -0.17  -0.08  -0.01     0.01   0.16   0.04    -0.06  -0.02   0.08
     7   8     0.11  -0.06  -0.03    -0.06  -0.12  -0.01    -0.09   0.16   0.04
     8   1     0.11  -0.13   0.05    -0.05  -0.16   0.03    -0.17   0.19  -0.03
     9   8    -0.07  -0.12  -0.04    -0.05  -0.07  -0.06    -0.08   0.02  -0.03
    10   1    -0.10  -0.10   0.00    -0.14   0.10   0.09    -0.08   0.21   0.04
    11   1     0.21   0.20   0.06     0.12  -0.16  -0.04     0.03   0.05  -0.13
    12   8     0.21   0.11  -0.01     0.07  -0.02   0.04     0.12   0.15   0.03
    13   6    -0.00   0.08  -0.00    -0.01  -0.05   0.06     0.14  -0.17   0.10
    14   1    -0.00   0.21   0.03     0.15  -0.09  -0.07     0.25  -0.29   0.04
    15   8    -0.20  -0.12  -0.00     0.12   0.10  -0.02    -0.01  -0.13  -0.02
    16   1    -0.25  -0.10  -0.01    -0.03   0.29   0.03    -0.13   0.06   0.08
    17   1     0.01  -0.16   0.22    -0.02  -0.14  -0.15    -0.12   0.09   0.05
    18   1    -0.14   0.02   0.33    -0.15   0.12   0.39    -0.05  -0.01  -0.04
    19   1     0.11   0.15  -0.28    -0.14  -0.00  -0.31    -0.11   0.12  -0.16
    20   8     0.05   0.02  -0.01    -0.11   0.02  -0.01    -0.04   0.03  -0.05
    21   1    -0.04   0.07   0.01     0.05  -0.07   0.14     0.26  -0.15   0.04
    22   1     0.01   0.10  -0.01    -0.05   0.04   0.05     0.25  -0.19   0.10
    23   1    -0.20  -0.16  -0.01    -0.14   0.34   0.05    -0.20  -0.07   0.02
    24   1     0.17   0.03   0.08    -0.23   0.01  -0.12    -0.04   0.01   0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    500.6743               551.3522               598.3011
 Red. masses --      1.1298                 3.0665                 5.0855
 Frc consts  --      0.1669                 0.5492                 1.0726
 IR Inten    --    134.8776                32.3786                 2.8241
 RamAct Fr= 1--      0.8791                 0.6473                 0.6807
  Dep-P Fr= 1--      0.5408                 0.2270                 0.2471
  Dep-U Fr= 1--      0.7020                 0.3700                 0.3963
 Alpha2 Fr= 1--      0.0035                 0.0082                 0.0081
 Beta2  Fr= 1--      0.1029                 0.0399                 0.0450
 AlphaG Fr= 1--      0.0019                 0.0067                 0.0102
 Gamma2 Fr= 1--     -0.7058                -0.0291                -0.1142
 Delta2 Fr= 1--     -0.5798                 0.0371                -0.0877
 Raman1 Fr= 1--       3.516                  2.589                  2.723
 ROA1   Fr= 1--     -86.313                 -1.609                -13.769
 CID1   Fr= 1--     -24.546                 -0.621                 -5.057
 Raman2 Fr= 1--       1.234                  0.479                  0.540
 ROA2   Fr= 1--     -12.301                 -0.995                 -2.040
 CID2   Fr= 1--      -9.966                 -2.078                 -3.780
 Raman3 Fr= 1--       2.468                  0.958                  1.079
 ROA3   Fr= 1--     -86.313                 -1.609                -13.769
 CID3   Fr= 1--     -34.966                 -1.679                -12.760
 RC180  Fr= 1--       0.404                 -0.260                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.05   0.02   0.20    -0.13  -0.07   0.07
     2   6    -0.00   0.00   0.01    -0.01  -0.06  -0.08    -0.14  -0.11   0.00
     3   6    -0.01  -0.01  -0.00     0.11  -0.09   0.04     0.00   0.06  -0.04
     4   6    -0.00   0.01   0.01    -0.01  -0.11  -0.13     0.07   0.08  -0.03
     5   8     0.00   0.00  -0.01    -0.05   0.03   0.07     0.25  -0.13   0.03
     6   6     0.01   0.02   0.00     0.02  -0.05  -0.14     0.19  -0.11   0.02
     7   8     0.01  -0.02  -0.00    -0.05   0.16  -0.04     0.04  -0.03  -0.03
     8   1    -0.01  -0.03  -0.00     0.18   0.01   0.20    -0.27  -0.16   0.05
     9   8     0.00  -0.00  -0.00    -0.05  -0.01   0.02    -0.17   0.12  -0.01
    10   1    -0.01   0.00   0.01    -0.07  -0.34  -0.09    -0.29  -0.28  -0.02
    11   1    -0.01   0.01   0.00     0.35  -0.31   0.03     0.03   0.09  -0.04
    12   8    -0.01  -0.03  -0.02    -0.01   0.03  -0.01     0.13   0.05   0.01
    13   6    -0.01   0.02   0.01    -0.01   0.02  -0.01    -0.07   0.02  -0.02
    14   1     0.03   0.02   0.02    -0.10  -0.20  -0.13     0.04   0.08  -0.03
    15   8     0.02   0.01  -0.00     0.01   0.03   0.03    -0.07   0.14   0.01
    16   1     0.00   0.03   0.00     0.10  -0.20  -0.13     0.34  -0.17   0.02
    17   1     0.01  -0.01  -0.00    -0.10  -0.05  -0.08     0.06   0.08   0.04
    18   1    -0.00   0.01   0.01    -0.03  -0.02   0.03    -0.27   0.18  -0.16
    19   1     0.03  -0.04   0.07    -0.11  -0.02   0.06     0.16   0.07  -0.04
    20   8    -0.04   0.01  -0.05     0.00   0.00   0.00    -0.09  -0.03   0.01
    21   1    -0.00   0.02   0.01     0.13  -0.03   0.25    -0.16   0.02  -0.06
    22   1     0.03   0.02   0.01    -0.15   0.26  -0.02    -0.12  -0.04  -0.01
    23   1     0.00   0.03   0.00     0.16   0.13   0.03     0.09  -0.14  -0.06
    24   1     0.45   0.02   0.88     0.09   0.01   0.13    -0.08  -0.02  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    619.9599               665.9491               899.6210
 Red. masses --      3.4356                 4.9112                 1.7753
 Frc consts  --      0.7780                 1.2833                 0.8465
 IR Inten    --      7.7947                19.4019                 8.6701
 RamAct Fr= 1--      0.1727                 0.3990                 1.9251
  Dep-P Fr= 1--      0.6902                 0.6120                 0.2724
  Dep-U Fr= 1--      0.8167                 0.7593                 0.4282
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0214
 Beta2  Fr= 1--      0.0235                 0.0505                 0.1374
 AlphaG Fr= 1--      0.0009                 0.0023                 0.0021
 Gamma2 Fr= 1--      0.0930                -0.2594                 0.2978
 Delta2 Fr= 1--      0.0476                -0.1107                 0.2394
 Raman1 Fr= 1--       0.691                  1.596                  7.700
 ROA1   Fr= 1--      10.451                -28.445                 36.248
 CID1   Fr= 1--      15.131                -17.822                  4.707
 Raman2 Fr= 1--       0.282                  0.606                  1.649
 ROA2   Fr= 1--       1.851                 -5.340                  5.232
 CID2   Fr= 1--       6.562                 -8.813                  3.174
 Raman3 Fr= 1--       0.564                  1.212                  3.297
 ROA3   Fr= 1--      10.451                -28.445                 36.248
 CID3   Fr= 1--      18.527                -23.473                 10.994
 RC180  Fr= 1--       0.633                  0.519                 -0.144
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.05   0.05  -0.02    -0.06   0.01  -0.03
     2   6    -0.00  -0.17   0.08     0.03   0.04  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.03  -0.13     0.01  -0.08   0.04    -0.05   0.09   0.12
     4   6     0.05   0.02   0.03     0.19   0.10  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.15  -0.00     0.19   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.02  -0.03  -0.13     0.04  -0.07   0.11     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.04   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.52  -0.08   0.03     0.22   0.15  -0.00     0.01  -0.02  -0.03
     9   8     0.17  -0.02   0.00    -0.01   0.01   0.02     0.02   0.00   0.01
    10   1    -0.03  -0.45   0.07     0.09   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.19   0.04  -0.12     0.02  -0.25   0.04    -0.09   0.19   0.12
    12   8     0.02  -0.04   0.04    -0.12  -0.13  -0.00     0.00   0.01  -0.01
    13   6     0.08  -0.08   0.06     0.03  -0.06   0.06     0.07  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.36   0.16  -0.10    -0.25   0.16  -0.09
    15   8    -0.03   0.03   0.03    -0.19  -0.10  -0.01     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.12     0.00  -0.20   0.11     0.04  -0.01   0.03
    17   1     0.03   0.19   0.07    -0.05  -0.01  -0.04     0.04   0.12   0.08
    18   1    -0.02   0.13  -0.10     0.05  -0.04   0.04    -0.02   0.03  -0.01
    19   1     0.07  -0.01  -0.04    -0.07  -0.11  -0.04     0.21   0.10  -0.10
    20   8    -0.00   0.01  -0.02    -0.10  -0.01  -0.01     0.01   0.01   0.00
    21   1     0.04  -0.05  -0.09    -0.02  -0.06   0.04     0.33  -0.24   0.50
    22   1     0.18  -0.19   0.06    -0.01  -0.07   0.06    -0.14   0.40  -0.08
    23   1     0.10   0.14   0.03    -0.26  -0.43  -0.05    -0.04  -0.05  -0.01
    24   1    -0.09  -0.00   0.02    -0.15  -0.02   0.09    -0.20  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    997.7057              1010.3726              1023.4088
 Red. masses --      3.9671                 3.8869                 3.7461
 Frc consts  --      2.3266                 2.3379                 2.3117
 IR Inten    --    129.1611                41.2653                19.3072
 RamAct Fr= 1--      0.1189                 2.0148                 0.9240
  Dep-P Fr= 1--      0.6713                 0.3739                 0.6117
  Dep-U Fr= 1--      0.8033                 0.5443                 0.7591
 Alpha2 Fr= 1--      0.0002                 0.0163                 0.0023
 Beta2  Fr= 1--      0.0159                 0.1828                 0.1169
 AlphaG Fr= 1--      0.0002                 0.0221                -0.0092
 Gamma2 Fr= 1--     -0.3153                 0.1992                 0.1030
 Delta2 Fr= 1--     -0.2931                 0.2593                 0.0621
 Raman1 Fr= 1--       0.475                  8.059                  3.696
 ROA1   Fr= 1--     -39.647                 27.416                 11.877
 CID1   Fr= 1--     -83.386                  3.402                  3.214
 Raman2 Fr= 1--       0.191                  2.193                  1.403
 ROA2   Fr= 1--      -5.222                  2.705                  1.976
 CID2   Fr= 1--     -27.341                  1.233                  1.409
 Raman3 Fr= 1--       0.382                  4.387                  2.805
 ROA3   Fr= 1--     -39.647                 27.416                 11.877
 CID3   Fr= 1--    -103.799                  6.250                  4.234
 RC180  Fr= 1--       0.607                  0.089                  0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.09   0.16    -0.10  -0.06  -0.17     0.24   0.01  -0.09
     2   6     0.07   0.23   0.09    -0.08   0.04   0.05     0.05  -0.16   0.17
     3   6    -0.07   0.11  -0.04     0.10  -0.11   0.13     0.05   0.15  -0.09
     4   6     0.06   0.04  -0.08     0.18   0.02   0.02     0.03   0.04  -0.01
     5   8     0.04  -0.06   0.09     0.08  -0.07   0.10     0.05  -0.04   0.05
     6   6    -0.00   0.01  -0.21    -0.15   0.06  -0.14    -0.11  -0.02  -0.05
     7   8     0.03  -0.14  -0.06    -0.04   0.06   0.03    -0.00   0.07   0.06
     8   1    -0.15  -0.10   0.13    -0.13  -0.04  -0.16     0.11   0.07  -0.08
     9   8    -0.03   0.01  -0.04     0.08  -0.03   0.02    -0.11   0.00  -0.05
    10   1    -0.06   0.12   0.08     0.09   0.16   0.07    -0.00  -0.18   0.15
    11   1    -0.02  -0.01  -0.04     0.04   0.01   0.13    -0.25   0.24  -0.08
    12   8    -0.04  -0.03   0.03     0.03   0.02  -0.03    -0.12  -0.09   0.05
    13   6     0.04  -0.02   0.02    -0.01   0.06  -0.13     0.01  -0.04  -0.03
    14   1     0.07  -0.11  -0.08     0.06   0.24   0.03    -0.05   0.03  -0.01
    15   8    -0.08  -0.12   0.03    -0.03  -0.04   0.00     0.02   0.04  -0.01
    16   1     0.07  -0.03  -0.20    -0.11   0.17  -0.13    -0.12   0.19  -0.05
    17   1     0.04  -0.13  -0.06    -0.01   0.32   0.20    -0.05  -0.37  -0.25
    18   1     0.36  -0.28   0.24    -0.04   0.06  -0.07    -0.29   0.14  -0.18
    19   1     0.27   0.11  -0.15    -0.15  -0.06   0.07     0.11   0.01  -0.05
    20   8    -0.02  -0.01   0.00    -0.07  -0.03   0.04    -0.00   0.00   0.01
    21   1    -0.01  -0.02  -0.01    -0.02   0.01   0.11     0.02  -0.08   0.16
    22   1     0.01  -0.04   0.02    -0.20   0.25  -0.13    -0.06   0.16  -0.05
    23   1     0.28   0.35   0.06     0.31   0.35   0.03     0.18   0.20  -0.01
    24   1    -0.08  -0.02   0.04     0.02  -0.02  -0.00    -0.11  -0.02   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1049.4672              1079.6879              1090.3917
 Red. masses --      3.1765                 4.5624                 4.2117
 Frc consts  --      2.0613                 3.1336                 2.9504
 IR Inten    --     30.8342                 7.9353               209.5780
 RamAct Fr= 1--      1.6445                 1.9870                 4.8295
  Dep-P Fr= 1--      0.5113                 0.4089                 0.4010
  Dep-U Fr= 1--      0.6766                 0.5805                 0.5724
 Alpha2 Fr= 1--      0.0077                 0.0143                 0.0356
 Beta2  Fr= 1--      0.1854                 0.1922                 0.4608
 AlphaG Fr= 1--     -0.0207                -0.0087                 0.0312
 Gamma2 Fr= 1--      1.8699                -0.8688                 1.4952
 Delta2 Fr= 1--      1.4984                -0.2474                 0.4580
 Raman1 Fr= 1--       6.578                  7.948                 19.318
 ROA1   Fr= 1--     227.463                -91.324                158.194
 CID1   Fr= 1--      34.580                -11.490                  8.189
 Raman2 Fr= 1--       2.225                  2.307                  5.529
 ROA2   Fr= 1--      32.892                -18.873                 32.221
 CID2   Fr= 1--      14.781                 -8.182                  5.827
 Raman3 Fr= 1--       4.451                  4.614                 11.058
 ROA3   Fr= 1--     227.463                -91.324                158.194
 CID3   Fr= 1--      51.108                -19.795                 14.305
 RC180  Fr= 1--       0.353                  0.161                  0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.08   0.07   0.02     0.06   0.12  -0.05
     2   6     0.06   0.09   0.12    -0.04  -0.03   0.03    -0.14  -0.01   0.07
     3   6     0.11  -0.07  -0.06    -0.17  -0.05   0.01    -0.11  -0.06   0.07
     4   6    -0.12  -0.06   0.18    -0.12  -0.15   0.05    -0.10  -0.11  -0.00
     5   8     0.04   0.11  -0.08     0.13   0.10  -0.04     0.17   0.06   0.00
     6   6     0.15  -0.05  -0.08    -0.03   0.04  -0.03    -0.03   0.03  -0.08
     7   8    -0.02   0.02   0.02     0.02  -0.02  -0.00     0.01  -0.04  -0.01
     8   1    -0.37  -0.11  -0.05     0.24   0.11   0.03     0.41   0.16  -0.04
     9   8    -0.06   0.03  -0.05     0.01  -0.02   0.01     0.06  -0.04   0.03
    10   1     0.01   0.09   0.11    -0.08  -0.11   0.02    -0.10   0.02   0.08
    11   1    -0.01   0.20  -0.05    -0.24   0.05   0.00    -0.10  -0.14   0.06
    12   8     0.01  -0.01   0.00     0.06   0.07  -0.03     0.05   0.06  -0.04
    13   6    -0.05  -0.04  -0.08     0.24   0.16  -0.11    -0.20  -0.09   0.12
    14   1    -0.25   0.15   0.17    -0.24  -0.12   0.03     0.12  -0.21   0.00
    15   8    -0.07  -0.05   0.03    -0.03  -0.02   0.01    -0.06  -0.03   0.01
    16   1     0.20  -0.12  -0.08     0.00   0.06  -0.03     0.13   0.12  -0.07
    17   1    -0.03  -0.03  -0.02    -0.01  -0.23  -0.13     0.00  -0.08  -0.03
    18   1     0.12  -0.11   0.10    -0.12   0.08  -0.09    -0.27   0.21  -0.21
    19   1    -0.38  -0.18   0.20     0.05   0.06  -0.03     0.06   0.07  -0.05
    20   8     0.04   0.02   0.01    -0.18  -0.13   0.11     0.16   0.09  -0.10
    21   1     0.05  -0.10   0.25     0.43   0.18  -0.18    -0.25  -0.06  -0.02
    22   1    -0.04   0.29  -0.10     0.24  -0.05  -0.07    -0.13  -0.17   0.11
    23   1     0.02   0.03   0.03     0.02   0.02   0.01     0.21   0.21   0.02
    24   1    -0.03   0.01   0.03     0.21  -0.06  -0.13    -0.05   0.05   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1099.2875              1104.1177              1114.2679
 Red. masses --      3.2079                 3.5397                 2.5867
 Frc consts  --      2.2840                 2.5424                 1.8922
 IR Inten    --    190.0371                94.1782                66.7533
 RamAct Fr= 1--      5.6055                 1.5720                 7.1258
  Dep-P Fr= 1--      0.1282                 0.5569                 0.6855
  Dep-U Fr= 1--      0.2273                 0.7154                 0.8134
 Alpha2 Fr= 1--      0.0915                 0.0058                 0.0081
 Beta2  Fr= 1--      0.2123                 0.1874                 0.9661
 AlphaG Fr= 1--     -0.0271                 0.0157                -0.0016
 Gamma2 Fr= 1--     -1.2135                -1.0577                 2.0023
 Delta2 Fr= 1--     -0.7018                -0.5574                 0.4181
 Raman1 Fr= 1--      22.422                  6.288                 28.503
 ROA1   Fr= 1--    -138.956               -119.377                205.597
 CID1   Fr= 1--      -6.197                -18.985                  7.213
 Raman2 Fr= 1--       2.548                  2.249                 11.593
 ROA2   Fr= 1--     -23.510                -20.926                 44.710
 CID2   Fr= 1--      -9.228                 -9.303                  3.857
 Raman3 Fr= 1--       5.096                  4.499                 23.186
 ROA3   Fr= 1--    -138.956               -119.377                205.597
 CID3   Fr= 1--     -27.269                -26.537                  8.867
 RC180  Fr= 1--      -0.545                  0.431                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.14    -0.08   0.14   0.03    -0.04   0.23   0.00
     2   6     0.06  -0.05   0.18     0.02  -0.06  -0.07     0.01  -0.06   0.04
     3   6     0.03   0.02   0.15     0.19   0.16   0.01     0.08  -0.09  -0.03
     4   6     0.03  -0.04  -0.12     0.03  -0.18   0.07    -0.06   0.16   0.00
     5   8    -0.14   0.02  -0.02     0.07   0.03  -0.03    -0.01  -0.04   0.02
     6   6     0.18  -0.07  -0.03    -0.03   0.13   0.04    -0.02  -0.00   0.01
     7   8    -0.01  -0.01   0.01     0.01  -0.09  -0.06     0.01  -0.11  -0.06
     8   1     0.10  -0.05  -0.14    -0.17   0.14   0.01    -0.03   0.31  -0.00
     9   8    -0.07   0.02  -0.05     0.01  -0.00   0.01    -0.01  -0.02  -0.00
    10   1     0.17   0.12   0.18     0.01  -0.30  -0.08     0.04  -0.14   0.04
    11   1     0.08  -0.12   0.15     0.26   0.22   0.03     0.27  -0.28  -0.03
    12   8    -0.01   0.00  -0.02    -0.11  -0.08   0.06     0.01  -0.01  -0.01
    13   6     0.02   0.07   0.08    -0.09   0.06  -0.07     0.09  -0.04   0.03
    14   1     0.07  -0.14  -0.11     0.14  -0.39   0.07    -0.25   0.32   0.00
    15   8    -0.03  -0.01   0.02    -0.02  -0.04   0.02     0.01   0.01  -0.00
    16   1     0.21   0.05  -0.04    -0.07   0.11   0.04    -0.01   0.05   0.01
    17   1     0.03   0.25   0.14     0.05   0.32   0.20     0.03   0.09   0.07
    18   1    -0.20   0.12  -0.11    -0.11   0.08  -0.07    -0.24   0.16  -0.16
    19   1     0.10   0.04  -0.04     0.09   0.00  -0.04    -0.40  -0.19   0.16
    20   8    -0.03  -0.02  -0.01    -0.00  -0.00   0.01    -0.02  -0.01   0.01
    21   1     0.19   0.17  -0.30     0.11   0.08  -0.07    -0.03  -0.07   0.10
    22   1    -0.04  -0.34   0.11    -0.15   0.01  -0.06     0.17   0.05   0.03
    23   1     0.08   0.12   0.02    -0.10  -0.11   0.01     0.04   0.04  -0.00
    24   1     0.28   0.03  -0.17     0.25   0.04  -0.11    -0.16  -0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1119.1060              1136.1901              1160.7147
 Red. masses --      3.7895                 3.3513                 2.9776
 Frc consts  --      2.7963                 2.5490                 2.3636
 IR Inten    --    130.4360                 8.2614                39.5947
 RamAct Fr= 1--      5.8173                 4.4680                 3.6054
  Dep-P Fr= 1--      0.5049                 0.7206                 0.5143
  Dep-U Fr= 1--      0.6710                 0.8376                 0.6793
 Alpha2 Fr= 1--      0.0281                 0.0023                 0.0166
 Beta2  Fr= 1--      0.6505                 0.6237                 0.4082
 AlphaG Fr= 1--     -0.0254                 0.0006                -0.0136
 Gamma2 Fr= 1--      1.6323                -0.5991                -0.3533
 Delta2 Fr= 1--      1.1483                -0.3280                 0.2312
 Raman1 Fr= 1--      23.269                 17.872                 14.421
 ROA1   Fr= 1--     193.445                -68.014                -26.514
 CID1   Fr= 1--       8.313                 -3.806                 -1.839
 Raman2 Fr= 1--       7.806                  7.485                  4.898
 ROA2   Fr= 1--      29.988                -11.755                -10.328
 CID2   Fr= 1--       3.841                 -1.570                 -2.109
 Raman3 Fr= 1--      15.613                 14.969                  9.796
 ROA3   Fr= 1--     193.445                -68.014                -26.514
 CID3   Fr= 1--      12.390                 -4.543                 -2.706
 RC180  Fr= 1--       0.342                  0.675                  0.359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.01    -0.02   0.09   0.05    -0.02  -0.12   0.00
     2   6    -0.21  -0.01  -0.05     0.20  -0.10   0.02     0.12  -0.09  -0.09
     3   6     0.00   0.02  -0.07    -0.16  -0.13   0.06    -0.00  -0.00  -0.01
     4   6     0.12   0.06   0.03     0.16  -0.04   0.06    -0.10   0.05  -0.05
     5   8    -0.15  -0.05  -0.03    -0.06   0.01   0.01     0.06  -0.03   0.02
     6   6     0.25   0.14   0.02     0.02   0.09   0.03     0.02   0.23   0.02
     7   8     0.01   0.01   0.01     0.02  -0.03  -0.02    -0.01   0.06   0.02
     8   1     0.19   0.17   0.00    -0.12   0.11   0.05    -0.04  -0.16   0.00
     9   8     0.09  -0.04   0.07    -0.10   0.04  -0.06    -0.05   0.03  -0.02
    10   1    -0.31  -0.09  -0.05     0.24  -0.35   0.00     0.20  -0.19  -0.10
    11   1    -0.10   0.09  -0.06    -0.31  -0.07   0.05     0.04  -0.04  -0.01
    12   8    -0.02  -0.02   0.01     0.07   0.07  -0.05     0.02   0.00  -0.00
    13   6     0.00   0.00  -0.08    -0.08   0.01  -0.11     0.04  -0.03   0.10
    14   1     0.07   0.02   0.04     0.37  -0.00   0.07    -0.37   0.12  -0.06
    15   8    -0.09  -0.11   0.05    -0.01  -0.03   0.02    -0.08  -0.12   0.03
    16   1     0.42   0.24   0.01    -0.15   0.15   0.04     0.13   0.56   0.03
    17   1    -0.03  -0.34  -0.20     0.01  -0.12  -0.10    -0.00   0.16   0.09
    18   1    -0.16   0.15  -0.08    -0.03  -0.02   0.00     0.05  -0.05   0.05
    19   1     0.01  -0.00  -0.01     0.03   0.05  -0.03    -0.07  -0.03   0.04
    20   8    -0.01  -0.00   0.02     0.02   0.01   0.01     0.01   0.01  -0.02
    21   1    -0.10  -0.05   0.12    -0.29  -0.06   0.13     0.11   0.01  -0.07
    22   1    -0.00   0.22  -0.10    -0.06   0.27  -0.14    -0.03  -0.20   0.12
    23   1     0.09   0.15   0.07    -0.15  -0.13   0.02     0.19   0.24   0.06
    24   1    -0.07  -0.01   0.04    -0.13  -0.01   0.09     0.01   0.01  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1189.1415              1228.3300              1249.4276
 Red. masses --      1.1651                 1.2601                 1.1551
 Frc consts  --      0.9707                 1.1202                 1.0625
 IR Inten    --     12.2110                 3.9138                10.5409
 RamAct Fr= 1--      2.4084                 1.9780                 4.5073
  Dep-P Fr= 1--      0.7456                 0.4327                 0.7498
  Dep-U Fr= 1--      0.8543                 0.6040                 0.8570
 Alpha2 Fr= 1--      0.0002                 0.0130                 0.0000
 Beta2  Fr= 1--      0.3429                 0.1991                 0.6438
 AlphaG Fr= 1--     -0.0009                 0.0023                 0.0009
 Gamma2 Fr= 1--     -2.1974                 1.0885                 0.1855
 Delta2 Fr= 1--     -1.3751                 0.8558                 0.0884
 Raman1 Fr= 1--       9.633                  7.912                 18.029
 ROA1   Fr= 1--    -254.957                131.881                 20.639
 CID1   Fr= 1--     -26.466                 16.668                  1.145
 Raman2 Fr= 1--       4.115                  2.390                  7.725
 ROA2   Fr= 1--     -41.737                 19.277                  3.745
 CID2   Fr= 1--     -10.143                  8.067                  0.485
 Raman3 Fr= 1--       8.230                  4.779                 15.451
 ROA3   Fr= 1--    -254.957                131.881                 20.639
 CID3   Fr= 1--     -30.981                 27.595                  1.336
 RC180  Fr= 1--       0.709                  0.208                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.01    -0.05  -0.02   0.09     0.01   0.00   0.02
     2   6     0.02  -0.02   0.01     0.03  -0.03  -0.03    -0.00  -0.01   0.03
     3   6    -0.01   0.03  -0.03    -0.02  -0.00  -0.04    -0.05   0.01  -0.06
     4   6    -0.03   0.01   0.04     0.03  -0.00   0.03     0.03   0.01   0.00
     5   8     0.00   0.01  -0.02    -0.01   0.01  -0.00    -0.01  -0.00   0.01
     6   6     0.02  -0.02  -0.00    -0.00  -0.05   0.01     0.01  -0.01  -0.00
     7   8    -0.01   0.01  -0.00     0.02  -0.00  -0.02    -0.03  -0.01  -0.01
     8   1     0.33  -0.08   0.01     0.05   0.22   0.11     0.62  -0.11   0.02
     9   8    -0.01   0.00  -0.01    -0.01  -0.02   0.01    -0.00   0.02  -0.01
    10   1     0.17   0.26   0.03     0.34   0.58   0.01    -0.10  -0.12   0.02
    11   1     0.26  -0.26  -0.03     0.06   0.17  -0.03    -0.01   0.33  -0.06
    12   8    -0.01  -0.00   0.01     0.01  -0.00   0.01     0.03  -0.02   0.00
    13   6     0.02   0.01  -0.05    -0.02  -0.01  -0.01    -0.01  -0.02  -0.01
    14   1     0.07  -0.30   0.03     0.02   0.10   0.03     0.11   0.03   0.00
    15   8    -0.01  -0.00  -0.00    -0.01   0.00  -0.01     0.00   0.00   0.00
    16   1     0.01   0.11  -0.01     0.01   0.14   0.01    -0.05   0.04  -0.00
    17   1     0.01   0.23   0.14    -0.01  -0.16  -0.09     0.02   0.39   0.24
    18   1    -0.08   0.06  -0.06    -0.25   0.17  -0.18     0.13  -0.09   0.09
    19   1     0.15   0.07  -0.09    -0.05  -0.03   0.03    -0.31  -0.15   0.15
    20   8     0.00  -0.01   0.03    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.36  -0.05   0.08     0.27   0.01   0.00     0.14  -0.01   0.01
    22   1     0.37   0.18  -0.07    -0.25  -0.02   0.00    -0.17   0.01  -0.01
    23   1     0.08   0.09   0.00     0.18   0.17  -0.01    -0.02  -0.01   0.00
    24   1    -0.25  -0.05   0.15     0.16   0.03  -0.09     0.07   0.01  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1274.0805              1280.5282              1306.9922
 Red. masses --      1.2554                 1.2923                 1.1518
 Frc consts  --      1.2007                 1.2485                 1.1593
 IR Inten    --     19.9903                69.1661                 8.6203
 RamAct Fr= 1--      3.2893                 3.7216                 2.0153
  Dep-P Fr= 1--      0.2937                 0.3512                 0.7496
  Dep-U Fr= 1--      0.4541                 0.5198                 0.8569
 Alpha2 Fr= 1--      0.0344                 0.0325                 0.0000
 Beta2  Fr= 1--      0.2489                 0.3224                 0.2878
 AlphaG Fr= 1--     -0.0039                 0.0239                 0.0003
 Gamma2 Fr= 1--     -0.5476                -0.0087                 0.2105
 Delta2 Fr= 1--     -1.1001                -0.7676                 0.2998
 Raman1 Fr= 1--      13.157                 14.887                  8.061
 ROA1   Fr= 1--     -87.776                -25.399                 29.806
 CID1   Fr= 1--      -6.671                 -1.706                  3.697
 Raman2 Fr= 1--       2.987                  3.869                  3.454
 ROA2   Fr= 1--      -4.342                  5.932                  2.654
 CID2   Fr= 1--      -1.454                  1.533                  0.769
 Raman3 Fr= 1--       5.974                  7.738                  6.908
 ROA3   Fr= 1--     -87.776                -25.399                 29.806
 CID3   Fr= 1--     -14.692                 -3.282                  4.315
 RC180  Fr= 1--      -0.092                  0.040                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.02  -0.04   0.01     0.02   0.00   0.00
     2   6     0.01  -0.02  -0.03    -0.02   0.08   0.03     0.01   0.02   0.00
     3   6     0.02   0.01   0.05    -0.00   0.01  -0.01    -0.01   0.00  -0.02
     4   6    -0.02  -0.05  -0.09    -0.01  -0.01  -0.04    -0.05  -0.01  -0.00
     5   8    -0.00   0.01   0.00     0.00  -0.02   0.02    -0.01  -0.01  -0.00
     6   6    -0.02  -0.03   0.03     0.01   0.08  -0.06    -0.06   0.02   0.05
     7   8     0.00  -0.00  -0.01     0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1    -0.20   0.08   0.02     0.09  -0.09   0.01    -0.03  -0.16  -0.01
     9   8     0.00   0.00   0.01     0.00  -0.04  -0.01    -0.00  -0.01  -0.01
    10   1    -0.12   0.16  -0.03     0.53  -0.19   0.05     0.14  -0.13   0.01
    11   1    -0.12   0.54   0.06     0.08   0.32  -0.00     0.05  -0.11  -0.03
    12   8     0.02  -0.01  -0.01     0.01  -0.01   0.01    -0.01   0.00   0.00
    13   6     0.02   0.03   0.01     0.02   0.01   0.02    -0.02  -0.01  -0.02
    14   1     0.18  -0.02  -0.09    -0.04   0.02  -0.05     0.51   0.35   0.01
    15   8    -0.01  -0.00  -0.01     0.01  -0.01   0.02    -0.00  -0.01  -0.01
    16   1     0.13   0.10   0.03    -0.03  -0.31  -0.05     0.57  -0.23   0.07
    17   1    -0.00  -0.03  -0.02    -0.01  -0.09  -0.05     0.00   0.08   0.05
    18   1     0.04  -0.03   0.02    -0.33   0.22  -0.21    -0.05   0.03  -0.03
    19   1    -0.33  -0.16   0.16    -0.10  -0.05   0.05     0.08   0.04  -0.04
    20   8     0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    21   1    -0.37   0.01  -0.05    -0.16   0.01  -0.03     0.21  -0.01   0.03
    22   1     0.34   0.02  -0.00     0.07  -0.03   0.02     0.16   0.06  -0.04
    23   1     0.17   0.17  -0.00    -0.28  -0.30   0.01     0.14   0.13  -0.00
    24   1    -0.17  -0.03   0.08    -0.09  -0.02   0.05     0.09   0.01  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1337.3504              1346.4253              1354.5166
 Red. masses --      1.3344                 1.2478                 1.2898
 Frc consts  --      1.4061                 1.3328                 1.3942
 IR Inten    --     31.8658                34.6655                 1.3698
 RamAct Fr= 1--      0.7504                 3.0538                 2.2441
  Dep-P Fr= 1--      0.5512                 0.5319                 0.5203
  Dep-U Fr= 1--      0.7107                 0.6944                 0.6845
 Alpha2 Fr= 1--      0.0028                 0.0129                 0.0100
 Beta2  Fr= 1--      0.0889                 0.3535                 0.2560
 AlphaG Fr= 1--      0.0086                 0.0106                 0.0157
 Gamma2 Fr= 1--      0.2181                -0.4006                -0.1050
 Delta2 Fr= 1--     -0.0312                 0.9542                 0.0140
 Raman1 Fr= 1--       3.002                 12.215                  8.977
 ROA1   Fr= 1--      19.942                 -7.926                 -9.633
 CID1   Fr= 1--       6.644                 -0.649                 -1.073
 Raman2 Fr= 1--       1.067                  4.241                  3.072
 ROA2   Fr= 1--       5.485                -17.249                 -2.632
 CID2   Fr= 1--       5.142                 -4.067                 -0.857
 Raman3 Fr= 1--       2.133                  8.483                  6.144
 ROA3   Fr= 1--      19.942                 -7.926                 -9.633
 CID3   Fr= 1--       9.348                 -0.934                 -1.568
 RC180  Fr= 1--       0.421                  0.389                  0.369
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.04    -0.08  -0.02  -0.04     0.01  -0.01   0.01
     2   6    -0.01  -0.01  -0.00    -0.05  -0.03   0.05     0.01  -0.03   0.00
     3   6    -0.03   0.05   0.04     0.00  -0.02  -0.00     0.03  -0.04  -0.04
     4   6    -0.07   0.05  -0.02     0.01  -0.03   0.00    -0.03  -0.08  -0.02
     5   8     0.02  -0.01   0.04     0.00   0.01  -0.01    -0.00  -0.00   0.04
     6   6     0.04   0.01  -0.04    -0.03  -0.01   0.02     0.05   0.01  -0.06
     7   8     0.02   0.01   0.02     0.02   0.01  -0.00    -0.01  -0.00  -0.01
     8   1    -0.02   0.04  -0.04     0.23   0.51   0.01     0.05   0.15   0.02
     9   8     0.00   0.01  -0.00     0.00   0.04  -0.03     0.00   0.00   0.01
    10   1    -0.03  -0.01  -0.01     0.26  -0.22   0.07    -0.19   0.19  -0.01
    11   1     0.26  -0.08   0.03     0.34   0.15  -0.00    -0.00   0.07  -0.05
    12   8     0.02  -0.01  -0.01    -0.01   0.00   0.02    -0.03   0.01   0.02
    13   6    -0.05  -0.04  -0.03     0.01   0.02   0.01    -0.02   0.02   0.01
    14   1     0.46  -0.17  -0.01    -0.08   0.10  -0.00     0.13   0.68  -0.01
    15   8     0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.03
    16   1    -0.31   0.20  -0.05     0.21   0.04   0.03    -0.25   0.21  -0.07
    17   1    -0.02  -0.28  -0.16    -0.01  -0.25  -0.15     0.01   0.14   0.08
    18   1     0.07  -0.05   0.04     0.35  -0.23   0.22    -0.00   0.00  -0.01
    19   1    -0.24  -0.12   0.11     0.11   0.05  -0.05     0.27   0.14  -0.12
    20   8    -0.01   0.00   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   1     0.34  -0.03   0.06    -0.09   0.02  -0.02    -0.05   0.02  -0.03
    22   1     0.32   0.09  -0.05    -0.03  -0.03   0.01     0.23  -0.02   0.01
    23   1    -0.13  -0.12   0.01     0.02   0.03   0.00    -0.20  -0.21   0.01
    24   1     0.18   0.03  -0.11    -0.06  -0.01   0.04    -0.03  -0.01   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.3402              1388.4756              1403.6213
 Red. masses --      1.2083                 1.3584                 1.4155
 Frc consts  --      1.3310                 1.5430                 1.6431
 IR Inten    --      5.4749                24.7013                 3.4643
 RamAct Fr= 1--      0.7565                 3.5222                 4.7597
  Dep-P Fr= 1--      0.5346                 0.6941                 0.7403
  Dep-U Fr= 1--      0.6967                 0.8194                 0.8508
 Alpha2 Fr= 1--      0.0031                 0.0034                 0.0008
 Beta2  Fr= 1--      0.0878                 0.4810                 0.6749
 AlphaG Fr= 1--      0.0009                 0.0022                 0.0023
 Gamma2 Fr= 1--      0.7340                -1.6204                 1.4430
 Delta2 Fr= 1--      0.3769                -0.8096                -0.1413
 Raman1 Fr= 1--       3.026                 14.089                 19.039
 ROA1   Fr= 1--      82.528               -181.467                134.012
 CID1   Fr= 1--      27.272                -12.880                  7.039
 Raman2 Fr= 1--       1.054                  5.772                  8.099
 ROA2   Fr= 1--      14.602                -32.413                 35.763
 CID2   Fr= 1--      13.851                 -5.615                  4.416
 Raman3 Fr= 1--       2.108                 11.545                 16.197
 ROA3   Fr= 1--      82.528               -181.467                134.012
 CID3   Fr= 1--      39.144                -15.719                  8.274
 RC180  Fr= 1--       0.393                  0.639                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.04    -0.04   0.02  -0.01     0.01  -0.02   0.01
     2   6     0.04  -0.00  -0.02     0.02   0.07  -0.02    -0.03   0.09  -0.02
     3   6    -0.07  -0.01  -0.01     0.00  -0.04  -0.02     0.05  -0.01   0.00
     4   6    -0.00  -0.03   0.02     0.05  -0.02  -0.01    -0.08   0.01   0.01
     5   8    -0.00   0.01   0.00    -0.00   0.02  -0.01    -0.00   0.01   0.01
     6   6     0.00  -0.01   0.01     0.02  -0.06   0.07     0.04  -0.09   0.04
     7   8     0.01   0.01   0.03     0.00   0.00   0.01    -0.01  -0.01  -0.01
     8   1    -0.06  -0.44  -0.09     0.14  -0.23  -0.03    -0.04   0.08   0.02
     9   8    -0.00  -0.01   0.01     0.00  -0.01   0.00     0.00  -0.01  -0.00
    10   1    -0.25   0.01  -0.04     0.04  -0.35  -0.03     0.26  -0.39  -0.01
    11   1     0.66   0.17  -0.01     0.04   0.17  -0.02    -0.22  -0.01   0.00
    12   8    -0.01  -0.00   0.02    -0.01   0.01   0.01    -0.01   0.01  -0.00
    13   6     0.04   0.03  -0.00    -0.07  -0.03   0.01     0.05   0.03  -0.01
    14   1     0.09   0.13   0.02    -0.32   0.11  -0.02     0.41  -0.02   0.03
    15   8    -0.00  -0.00  -0.01    -0.01  -0.00  -0.04    -0.01   0.00  -0.01
    16   1    -0.07   0.02   0.01    -0.28   0.08   0.06    -0.29   0.38   0.03
    17   1    -0.01  -0.17  -0.10    -0.00  -0.08  -0.05     0.00   0.05   0.03
    18   1    -0.07   0.04  -0.04    -0.10   0.07  -0.07    -0.07   0.05  -0.05
    19   1     0.02   0.01  -0.01     0.14   0.07  -0.06     0.07   0.04  -0.04
    20   8     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.01  -0.02  -0.01
    21   1    -0.09   0.02  -0.03     0.03  -0.03   0.03     0.02   0.04  -0.06
    22   1    -0.33  -0.06   0.02     0.48   0.04  -0.02    -0.35  -0.01   0.01
    23   1     0.05   0.05  -0.00     0.27   0.27  -0.02     0.14   0.15  -0.01
    24   1    -0.18  -0.04   0.10     0.27   0.06  -0.13    -0.27  -0.06   0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.4196              1430.1880              1436.9663
 Red. masses --      1.6478                 1.2686                 1.5223
 Frc consts  --      1.9643                 1.5288                 1.8520
 IR Inten    --      4.7108                42.3640                 4.6173
 RamAct Fr= 1--      6.1457                 1.7858                 2.5733
  Dep-P Fr= 1--      0.6580                 0.7338                 0.5222
  Dep-U Fr= 1--      0.7937                 0.8465                 0.6861
 Alpha2 Fr= 1--      0.0101                 0.0005                 0.0114
 Beta2  Fr= 1--      0.8130                 0.2519                 0.2943
 AlphaG Fr= 1--     -0.0202                 0.0086                 0.0320
 Gamma2 Fr= 1--     -0.5112                 0.0892                 0.2941
 Delta2 Fr= 1--     -0.1660                 0.2753                 0.0494
 Raman1 Fr= 1--      24.583                  7.143                 10.293
 ROA1   Fr= 1--     -54.383                 17.375                 29.818
 CID1   Fr= 1--      -2.212                  2.432                  2.897
 Raman2 Fr= 1--       9.756                  3.023                  3.531
 ROA2   Fr= 1--     -10.940                 -0.062                  6.664
 CID2   Fr= 1--      -1.121                 -0.020                  1.887
 Raman3 Fr= 1--      19.512                  6.046                  7.062
 ROA3   Fr= 1--     -54.383                 17.375                 29.818
 CID3   Fr= 1--      -2.787                  2.874                  4.222
 RC180  Fr= 1--       0.587                  0.693                  0.372
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.05   0.02    -0.05   0.03   0.00     0.10   0.01   0.01
     2   6    -0.13  -0.04  -0.02     0.02   0.04  -0.02    -0.03  -0.01  -0.00
     3   6    -0.07   0.06  -0.00     0.02  -0.00  -0.00    -0.03  -0.14   0.00
     4   6     0.05  -0.06   0.01     0.02   0.01  -0.00    -0.01   0.10  -0.01
     5   8    -0.00   0.01   0.00    -0.00   0.01  -0.01     0.00  -0.01  -0.01
     6   6     0.02  -0.04   0.00    -0.06  -0.08  -0.04    -0.01  -0.01  -0.02
     7   8    -0.01  -0.01  -0.01     0.01   0.00   0.01    -0.03  -0.01  -0.02
     8   1    -0.35  -0.27  -0.02     0.11  -0.25  -0.02    -0.30   0.11   0.01
     9   8     0.01   0.02  -0.02     0.00  -0.01   0.01    -0.00  -0.00  -0.00
    10   1     0.60   0.04   0.04    -0.03  -0.07  -0.03     0.07   0.03   0.01
    11   1     0.18  -0.20  -0.01    -0.11   0.00  -0.00     0.27   0.50   0.01
    12   8     0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03   0.02   0.02
    13   6    -0.01   0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.02  -0.00
    14   1    -0.14   0.21   0.00    -0.08  -0.04  -0.01     0.00  -0.39  -0.00
    15   8     0.00   0.01   0.00     0.02   0.02   0.05     0.01   0.01   0.01
    16   1    -0.09   0.24  -0.01     0.50   0.65  -0.06     0.11   0.13  -0.02
    17   1     0.01   0.14   0.09    -0.00  -0.12  -0.07     0.01   0.26   0.14
    18   1     0.20  -0.13   0.13    -0.05   0.03  -0.04     0.01  -0.01   0.01
    19   1    -0.17  -0.09   0.08    -0.00  -0.00   0.00     0.30   0.15  -0.14
    20   8    -0.00   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01   0.00
    21   1    -0.10  -0.02   0.04    -0.10  -0.02   0.02     0.29   0.02  -0.04
    22   1     0.05  -0.04   0.00    -0.00   0.02  -0.00     0.12   0.07  -0.01
    23   1    -0.02  -0.02   0.00    -0.28  -0.27   0.03    -0.08  -0.09   0.01
    24   1     0.08   0.02  -0.04     0.12   0.03  -0.06    -0.03  -0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1444.9234              1450.0553              1515.6148
 Red. masses --      1.5176                 1.3562                 1.0892
 Frc consts  --      1.8668                 1.6801                 1.4742
 IR Inten    --      4.6049                99.4391                 1.1354
 RamAct Fr= 1--      3.8262                 3.1544                 5.1294
  Dep-P Fr= 1--      0.5663                 0.3054                 0.7234
  Dep-U Fr= 1--      0.7231                 0.4679                 0.8395
 Alpha2 Fr= 1--      0.0133                 0.0318                 0.0023
 Beta2  Fr= 1--      0.4611                 0.2460                 0.7177
 AlphaG Fr= 1--      0.0070                 0.0307                -0.0007
 Gamma2 Fr= 1--      0.4147                -0.7212                -0.2428
 Delta2 Fr= 1--      0.2760                -0.4610                -0.1228
 Raman1 Fr= 1--      15.305                 12.618                 20.517
 ROA1   Fr= 1--      48.643                -83.992                -27.235
 CID1   Fr= 1--       3.178                 -6.657                 -1.327
 Raman2 Fr= 1--       5.534                  2.952                  8.612
 ROA2   Fr= 1--       7.744                -13.622                 -4.844
 CID2   Fr= 1--       1.399                 -4.615                 -0.563
 Raman3 Fr= 1--      11.067                  5.903                 17.224
 ROA3   Fr= 1--      48.643                -83.992                -27.235
 CID3   Fr= 1--       4.395                -14.228                 -1.581
 RC180  Fr= 1--       0.446                 -0.064                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.11  -0.01    -0.01   0.03   0.00    -0.00   0.00   0.00
     2   6     0.05   0.09   0.01    -0.02  -0.03   0.00    -0.00  -0.00  -0.00
     3   6    -0.09   0.06   0.01     0.03  -0.05  -0.00     0.01  -0.01  -0.00
     4   6     0.02  -0.02   0.00    -0.07   0.02  -0.01    -0.01   0.01  -0.00
     5   8    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.00  -0.00   0.00
     6   6    -0.01  -0.03   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
     7   8    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.21   0.56   0.04     0.01  -0.10  -0.01     0.01  -0.01   0.00
     9   8    -0.01  -0.03   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    10   1    -0.25  -0.24  -0.03     0.09   0.08   0.01     0.00   0.00   0.00
    11   1     0.34  -0.13   0.00    -0.05   0.14   0.00    -0.03   0.04  -0.00
    12   8     0.02  -0.01  -0.00    -0.02   0.01   0.01    -0.00   0.00   0.00
    13   6     0.03  -0.03  -0.01     0.09  -0.07  -0.01    -0.01   0.06  -0.05
    14   1    -0.04   0.05   0.00     0.21  -0.07  -0.00     0.04  -0.04  -0.00
    15   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.08   0.11   0.00    -0.11  -0.09   0.00     0.00   0.00   0.00
    17   1     0.01   0.20   0.12     0.00  -0.02  -0.01    -0.00   0.00   0.00
    18   1    -0.22   0.14  -0.13     0.08  -0.05   0.04     0.00  -0.00   0.00
    19   1    -0.11  -0.06   0.06     0.16   0.08  -0.06     0.02   0.01  -0.01
    20   8    -0.02   0.02   0.01    -0.04   0.05   0.02     0.00   0.00  -0.00
    21   1    -0.23  -0.08   0.10    -0.52  -0.16   0.12     0.01  -0.13   0.70
    22   1    -0.07  -0.02  -0.00    -0.24   0.08  -0.02     0.06  -0.69   0.04
    23   1    -0.01  -0.00   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
    24   1     0.26   0.07  -0.13     0.58   0.15  -0.29    -0.02   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2976.0150              2979.0203              2987.5053
 Red. masses --      1.0811                 1.0725                 1.0800
 Frc consts  --      5.6414                 5.6080                 5.6795
 IR Inten    --      7.2280                31.0814                 2.4421
 RamAct Fr= 1--     64.9576               135.8980               188.4203
  Dep-P Fr= 1--      0.1620                 0.1191                 0.1542
  Dep-U Fr= 1--      0.2788                 0.2129                 0.2673
 Alpha2 Fr= 1--      0.9740                 2.2698                 2.8816
 Beta2  Fr= 1--      3.0183                 4.8221                 8.3926
 AlphaG Fr= 1--      0.1410                 0.7215                 0.1617
 Gamma2 Fr= 1--      1.6216                 5.1387                -3.2126
 Delta2 Fr= 1--     -0.2396                 2.9029                -1.3795
 Raman1 Fr= 1--     259.831                543.592                753.681
 ROA1   Fr= 1--     148.008                586.206               -352.556
 CID1   Fr= 1--       0.570                  1.078                 -0.468
 Raman2 Fr= 1--      36.219                 57.866                100.712
 ROA2   Fr= 1--      40.835                100.105                -66.067
 CID2   Fr= 1--       1.127                  1.730                 -0.656
 Raman3 Fr= 1--      72.439                115.731                201.423
 ROA3   Fr= 1--     148.008                586.206               -352.556
 CID3   Fr= 1--       2.043                  5.065                 -1.750
 RC180  Fr= 1--      -0.442                 -0.574                 -0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00   0.00  -0.01     0.00  -0.01   0.05
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00   0.00   0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.06
     4   6    -0.00  -0.00  -0.01     0.00  -0.00   0.03    -0.00   0.00   0.03
     5   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00   0.02  -0.24    -0.00  -0.01   0.09     0.01   0.05  -0.59
     9   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.07  -0.03   0.92    -0.01  -0.00   0.13    -0.00  -0.00   0.05
    11   1    -0.00   0.00  -0.18    -0.00   0.00  -0.13     0.00  -0.01   0.72
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.01    -0.01   0.00  -0.07    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.13     0.01   0.00  -0.32     0.01   0.00  -0.33
    15   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00  -0.16    -0.00   0.00  -0.02    -0.00   0.00   0.10
    17   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.00   0.01   0.00     0.01  -0.15  -0.05     0.00   0.00   0.00
    22   1    -0.00  -0.01  -0.10     0.02   0.10   0.90     0.00   0.00   0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.5604              3007.4540              3018.5284
 Red. masses --      1.0825                 1.0849                 1.0863
 Frc consts  --      5.7191                 5.7815                 5.8318
 IR Inten    --      2.1779                27.6451               130.2110
 RamAct Fr= 1--     13.3910                34.2828                47.2142
  Dep-P Fr= 1--      0.3875                 0.1563                 0.1850
  Dep-U Fr= 1--      0.5586                 0.2704                 0.3123
 Alpha2 Fr= 1--      0.1037                 0.5215                 0.6670
 Beta2  Fr= 1--      1.2467                 1.5450                 2.4572
 AlphaG Fr= 1--      0.0350                -0.5251                -0.6442
 Gamma2 Fr= 1--     -0.4319                 2.4552                -4.0342
 Delta2 Fr= 1--     -2.6004                 3.0634                -0.1294
 Raman1 Fr= 1--      53.564                137.131                188.857
 ROA1   Fr= 1--    -124.674                333.730               -391.421
 CID1   Fr= 1--      -2.328                  2.434                 -2.073
 Raman2 Fr= 1--      14.960                 18.540                 29.486
 ROA2   Fr= 1--      10.438                 34.418                -95.785
 CID2   Fr= 1--       0.698                  1.856                 -3.248
 Raman3 Fr= 1--      29.920                 37.080                 58.973
 ROA3   Fr= 1--    -124.674                333.730               -391.421
 CID3   Fr= 1--      -4.167                  9.000                 -6.637
 RC180  Fr= 1--       0.117                 -0.459                 -0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.05    -0.00  -0.00   0.02     0.00   0.00  -0.03
     2   6    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02     0.00  -0.00   0.04    -0.00   0.00  -0.03
     4   6     0.00  -0.00  -0.05    -0.00   0.00   0.04     0.00   0.00  -0.03
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.05     0.00  -0.00  -0.06
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.01   0.05  -0.59    -0.00   0.02  -0.27    -0.01  -0.04   0.39
     9   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   1     0.02   0.01  -0.23     0.00   0.00  -0.02    -0.02  -0.01   0.26
    11   1    -0.01   0.01  -0.22    -0.00   0.01  -0.52     0.01  -0.00   0.32
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.00   0.00  -0.01
    14   1    -0.02  -0.01   0.65     0.01  -0.00  -0.50    -0.02  -0.00   0.30
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.00   0.00   0.18    -0.01   0.01   0.60    -0.01   0.02   0.75
    17   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.08  -0.03    -0.00   0.07   0.02     0.00  -0.04  -0.01
    22   1     0.01   0.03   0.28    -0.01  -0.02  -0.20     0.01   0.01   0.09
    23   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01
    24   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3092.0572              3736.4656              3760.0278
 Red. masses --      1.0924                 1.0659                 1.0650
 Frc consts  --      6.1535                 8.7680                 8.8709
 IR Inten    --     24.3998               119.5738                38.4894
 RamAct Fr= 1--    103.5894                62.7818                81.8951
  Dep-P Fr= 1--      0.2947                 0.1018                 0.1530
  Dep-U Fr= 1--      0.4553                 0.1848                 0.2654
 Alpha2 Fr= 1--      1.0793                 1.0943                 1.2565
 Beta2  Fr= 1--      7.8604                 1.9342                 3.6219
 AlphaG Fr= 1--     -0.6899                -0.0936                -0.1924
 Gamma2 Fr= 1--     -5.8875                -1.5249                -3.0031
 Delta2 Fr= 1--     -1.9990                -0.5310                -1.0826
 Raman1 Fr= 1--     414.358                251.127                327.580
 ROA1   Fr= 1--    -629.165               -163.384               -322.941
 CID1   Fr= 1--      -1.518                 -0.651                 -0.986
 Raman2 Fr= 1--      94.324                 23.210                 43.463
 ROA2   Fr= 1--    -125.307                -32.350                -63.414
 CID2   Fr= 1--      -1.328                 -1.394                 -1.459
 Raman3 Fr= 1--     188.648                 46.421                 86.925
 ROA3   Fr= 1--    -629.165               -163.384               -322.941
 CID3   Fr= 1--      -3.335                 -3.520                 -3.715
 RC180  Fr= 1--      -0.089                 -0.630                 -0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.04   0.01
    19   1     0.00  -0.00  -0.00    -0.03   0.09   0.02     0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.08   0.95   0.23     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.00   0.16     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.17   0.97
    24   1     0.01  -0.02  -0.01    -0.13   0.98   0.06     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3777.3655              3779.8882              3792.9608
 Red. masses --      1.0658                 1.0658                 1.0660
 Frc consts  --      8.9602                 8.9720                 9.0360
 IR Inten    --     45.7416                49.4016                60.3985
 RamAct Fr= 1--     73.2122                88.0349                99.0839
  Dep-P Fr= 1--      0.1735                 0.2083                 0.1790
  Dep-U Fr= 1--      0.2957                 0.3448                 0.3036
 Alpha2 Fr= 1--      1.0657                 1.1694                 1.4219
 Beta2  Fr= 1--      3.6081                 5.0591                 5.0138
 AlphaG Fr= 1--     -0.4817                -0.4067                 0.5159
 Gamma2 Fr= 1--     -2.5688                 0.6699                 2.4931
 Delta2 Fr= 1--      1.3563                 2.4325                -0.3779
 Raman1 Fr= 1--     292.849                352.139                396.336
 ROA1   Fr= 1--    -203.201                142.150                227.248
 CID1   Fr= 1--      -0.694                  0.404                  0.573
 Raman2 Fr= 1--      43.297                 60.710                 60.166
 ROA2   Fr= 1--     -72.502                 -3.383                 62.859
 CID2   Fr= 1--      -1.675                 -0.056                  1.045
 Raman3 Fr= 1--      86.595                121.419                120.331
 ROA3   Fr= 1--    -203.201                142.150                227.248
 CID3   Fr= 1--      -2.347                  1.171                  1.889
 RC180  Fr= 1--      -0.409                 -0.310                 -0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.06   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.04  -0.05   0.01    -0.00  -0.00   0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.02  -0.06  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.01  -0.01   0.00    -0.03   0.01  -0.01     0.92  -0.28   0.27
    18   1    -0.00  -0.00   0.00     0.66   0.73  -0.15     0.02   0.02  -0.01
    19   1    -0.29   0.92   0.22    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00  -0.00   0.00     0.01  -0.01   0.05    -0.00   0.00  -0.01
    24   1     0.01  -0.10  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1376.673832454.181313661.00849
           X            0.99998  -0.00613   0.00178
           Y            0.00614   0.99997  -0.00485
           Z           -0.00175   0.00486   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06292     0.03529     0.02366
 Rotational constants (GHZ):           1.31094     0.73537     0.49296
 Zero-point vibrational energy     517141.2 (Joules/Mol)
                                  123.59972 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     97.63   153.77   170.52   236.73   301.94
          (Kelvin)            332.60   358.12   408.01   427.25   475.28
                              486.02   535.68   565.68   573.06   581.31
                              605.62   642.19   689.12   720.36   793.27
                              860.82   891.98   958.15  1294.35  1435.48
                             1453.70  1472.46  1509.95  1553.43  1568.83
                             1581.63  1588.58  1603.18  1610.14  1634.72
                             1670.01  1710.91  1767.29  1797.65  1833.12
                             1842.39  1880.47  1924.15  1937.21  1948.85
                             1967.30  1997.71  2019.50  2046.54  2057.72
                             2067.47  2078.92  2086.31  2180.63  4281.82
                             4286.15  4298.35  4308.50  4327.06  4342.99
                             4448.78  5375.94  5409.84  5434.79  5438.42
                             5457.22
 
 Zero-point correction=                           0.196969 (Hartree/Particle)
 Thermal correction to Energy=                    0.209276
 Thermal correction to Enthalpy=                  0.210221
 Thermal correction to Gibbs Free Energy=         0.159487
 Sum of electronic and zero-point Energies=           -687.312263
 Sum of electronic and thermal Energies=              -687.299956
 Sum of electronic and thermal Enthalpies=            -687.299012
 Sum of electronic and thermal Free Energies=         -687.349745
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.323             47.395            106.779
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.893
 Vibrational            129.546             41.433             34.415
 Vibration     1          0.598              1.970              4.215
 Vibration     2          0.606              1.944              3.325
 Vibration     3          0.609              1.934              3.124
 Vibration     4          0.623              1.886              2.497
 Vibration     5          0.642              1.826              2.045
 Vibration     6          0.653              1.793              1.870
 Vibration     7          0.662              1.765              1.738
 Vibration     8          0.682              1.704              1.512
 Vibration     9          0.691              1.679              1.434
 Vibration    10          0.713              1.615              1.258
 Vibration    11          0.718              1.600              1.223
 Vibration    12          0.744              1.529              1.070
 Vibration    13          0.760              1.485              0.988
 Vibration    14          0.765              1.474              0.969
 Vibration    15          0.769              1.461              0.948
 Vibration    16          0.783              1.425              0.889
 Vibration    17          0.806              1.369              0.807
 Vibration    18          0.835              1.297              0.713
 Vibration    19          0.856              1.249              0.656
 Vibration    20          0.907              1.137              0.541
 Vibration    21          0.956              1.035              0.453
 Vibration    22          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.437799D-73        -73.358726       -168.914708
 Total V=0       0.173981D+18         17.240501         39.697720
 Vib (Bot)       0.366157D-87        -87.436332       -201.329595
 Vib (Bot)    1  0.304036D+01          0.482925          1.111975
 Vib (Bot)    2  0.191756D+01          0.282749          0.651054
 Vib (Bot)    3  0.172489D+01          0.236761          0.545163
 Vib (Bot)    4  0.122694D+01          0.088824          0.204525
 Vib (Bot)    5  0.946486D+00         -0.023886         -0.054999
 Vib (Bot)    6  0.851576D+00         -0.069777         -0.160667
 Vib (Bot)    7  0.784521D+00         -0.105395         -0.242682
 Vib (Bot)    8  0.676684D+00         -0.169614         -0.390551
 Vib (Bot)    9  0.641523D+00         -0.192788         -0.443911
 Vib (Bot)   10  0.565501D+00         -0.247567         -0.570044
 Vib (Bot)   11  0.550452D+00         -0.259281         -0.597016
 Vib (Bot)   12  0.488218D+00         -0.311386         -0.716993
 Vib (Bot)   13  0.455586D+00         -0.341430         -0.786172
 Vib (Bot)   14  0.448058D+00         -0.348666         -0.802833
 Vib (Bot)   15  0.439843D+00         -0.356703         -0.821338
 Vib (Bot)   16  0.416851D+00         -0.380019         -0.875027
 Vib (Bot)   17  0.385339D+00         -0.414157         -0.953631
 Vib (Bot)   18  0.349494D+00         -0.456561         -1.051270
 Vib (Bot)   19  0.328066D+00         -0.484038         -1.114539
 Vib (Bot)   20  0.284262D+00         -0.546281         -1.257859
 Vib (Bot)   21  0.250008D+00         -0.602045         -1.386261
 Vib (Bot)   22  0.235897D+00         -0.627278         -1.444360
 Vib (V=0)       0.145510D+04          3.162894          7.282832
 Vib (V=0)    1  0.358120D+01          0.554028          1.275697
 Vib (V=0)    2  0.248168D+01          0.394745          0.908934
 Vib (V=0)    3  0.229590D+01          0.360952          0.831124
 Vib (V=0)    4  0.182491D+01          0.261242          0.601531
 Vib (V=0)    5  0.157044D+01          0.196021          0.451354
 Vib (V=0)    6  0.148751D+01          0.172461          0.397105
 Vib (V=0)    7  0.143031D+01          0.155430          0.357890
 Vib (V=0)    8  0.134137D+01          0.127548          0.293690
 Vib (V=0)    9  0.131336D+01          0.118383          0.272587
 Vib (V=0)   10  0.125485D+01          0.098590          0.227012
 Vib (V=0)   11  0.124364D+01          0.094694          0.218041
 Vib (V=0)   12  0.119883D+01          0.078756          0.181342
 Vib (V=0)   13  0.117643D+01          0.070566          0.162485
 Vib (V=0)   14  0.117138D+01          0.068699          0.158185
 Vib (V=0)   15  0.116593D+01          0.066672          0.153518
 Vib (V=0)   16  0.115097D+01          0.061065          0.140607
 Vib (V=0)   17  0.113126D+01          0.053562          0.123330
 Vib (V=0)   18  0.111004D+01          0.045338          0.104394
 Vib (V=0)   19  0.109802D+01          0.040610          0.093508
 Vib (V=0)   20  0.107516D+01          0.031472          0.072466
 Vib (V=0)   21  0.105902D+01          0.024904          0.057345
 Vib (V=0)   22  0.105285D+01          0.022368          0.051504
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.125897D+07          6.100015         14.045803
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   0009999                                    544444433333322221111110000009  9    6655544443333322222 111   
   98763                   9109877                                    154332086543087428631109984219  0    6295074209973398431 6106  
   30706                   2975896                                    605702487567714989169449009308  0    6081196148328074910 5978  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X    XXXXXXXXXXXXXXXXXXX XXXX  
   XXXXX                   XXX  X                                      X  X  X  XX XX   X XXXXX XXXX       X  XX X XX X X X          
   XXXXX                    XX  X                                      X  X     XX X    X XXXXX X XX          XX   XX X X            
   XXXXX                    X                                          X  X        X    X XXXXX   XX           X   XX X X            
   XX  X                    X                                          X           X      XXXXX    X           X   XX X X            
   X   X                    X                                          X           X      XXXXX    X           X   XX X              
       X                    X                                          X           X      X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
                            X                                                             X  XX    X           X   X                 
                                                                                             XX                X   X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010123    0.000039524    0.000009867
      2        6          -0.000043983    0.000004406   -0.000021617
      3        6           0.000012114   -0.000013939   -0.000005191
      4        6           0.000044431    0.000051519   -0.000012009
      5        8          -0.000062337   -0.000030079    0.000007063
      6        6           0.000053374   -0.000000236    0.000015720
      7        8           0.000003876   -0.000020702   -0.000011640
      8        1          -0.000000883   -0.000001263   -0.000008741
      9        8           0.000027652   -0.000011234    0.000007127
     10        1           0.000001535   -0.000001794    0.000007019
     11        1          -0.000003177    0.000003701    0.000004390
     12        8          -0.000009518   -0.000005354   -0.000004296
     13        6           0.000000173   -0.000002943   -0.000000821
     14        1          -0.000004902   -0.000006538    0.000004942
     15        8          -0.000020858   -0.000013476    0.000008050
     16        1          -0.000001748   -0.000003312   -0.000002872
     17        1           0.000001416   -0.000003521   -0.000001196
     18        1           0.000001339   -0.000000168    0.000000083
     19        1           0.000001935   -0.000000762    0.000001211
     20        8          -0.000001702    0.000003951   -0.000000599
     21        1           0.000002953    0.000001151    0.000003038
     22        1           0.000002687    0.000005495   -0.000000024
     23        1           0.000004179    0.000001510   -0.000005942
     24        1           0.000001566    0.000004065    0.000006439
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000062337 RMS     0.000016714
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113857D+03  0.114445D+01 -0.352251D+00
      2   0.114445D+01  0.102129D+03 -0.176642D+01
      3  -0.352251D+00 -0.176642D+01  0.850614D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.205029D+01 -0.471566D+01  0.679459D+01
      2  -0.380008D+01  0.205576D+00  0.427867D+01
      3  -0.629274D+01 -0.109133D+02  0.134172D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.274655D+02 -0.125608D+02 -0.179345D+02
      2  -0.229441D+02  0.146564D+02  0.120322D+02
      3  -0.452141D+01 -0.209564D+01  0.590225D+01
      4  -0.200519D+02 -0.885968D+01 -0.788950D+00
      5  -0.813698D+01 -0.232040D+01  0.663665D+01
      6  -0.269555D-01  0.140264D+02 -0.126899D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.281635D+01  0.194728D+01 -0.632248D+00  0.130600D+01  0.210576D+01
      2   0.194728D+01  0.197983D+01  0.159711D+00  0.210576D+01 -0.357509D+01
      3  -0.632248D+00  0.159711D+00 -0.467566D+00  0.276395D+00 -0.105404D+01
                 6             7             8             9            10 
      1   0.276395D+00 -0.108530D+01  0.504986D+00 -0.504343D+00  0.307989D+01
      2  -0.105404D+01  0.504986D+00 -0.206883D+01 -0.576901D+00 -0.167347D+01
      3   0.494282D+00 -0.504343D+00 -0.576901D+00  0.820262D+01  0.974802D+00
                11            12            13            14            15 
      1  -0.167347D+01  0.974802D+00 -0.248602D+01 -0.199315D+01 -0.542940D+00
      2  -0.127643D+01 -0.267405D+00 -0.199315D+01  0.177150D+01  0.657064D+00
      3  -0.267405D+00 -0.924517D+00 -0.542940D+00  0.657064D+00  0.121266D+01
                16            17            18            19            20 
      1   0.191915D+01 -0.739861D+00  0.280145D+00  0.138801D+01 -0.211051D+01
      2  -0.739861D+00  0.939224D+00  0.487896D+00 -0.211051D+01 -0.184974D+01
      3   0.280145D+00  0.487896D+00 -0.858884D+01  0.795279D+00  0.176160D+00
                21            22            23            24            25 
      1   0.795279D+00 -0.341329D+01 -0.283013D+01  0.130078D+00  0.179308D+01
      2   0.176160D+00 -0.283013D+01  0.244462D+01  0.732315D+00  0.314702D+00
      3   0.713640D+00  0.130078D+00  0.732315D+00  0.112265D+01  0.856628D-01
                26            27            28            29            30 
      1   0.314702D+00  0.856628D-01  0.421551D+00  0.342238D+01 -0.999947D+00
      2   0.170058D+01  0.590985D+00  0.342238D+01  0.156076D+01 -0.298404D-01
      3   0.590985D+00 -0.781252D+01 -0.999947D+00 -0.298404D-01 -0.886828D+00
                31            32            33            34            35 
      1   0.365796D+01  0.279493D+01  0.247439D-01 -0.133174D+01  0.195477D+00
      2   0.279493D+01 -0.337462D+01 -0.823539D+00  0.195477D+00 -0.163123D+01
      3   0.247439D-01 -0.823539D+00 -0.642729D+00 -0.406501D+00  0.229612D-01
                36            37            38            39            40 
      1  -0.406501D+00  0.200136D+01 -0.298703D+01  0.569545D+00 -0.428489D+01
      2   0.229612D-01 -0.298703D+01 -0.372155D+00 -0.482793D+00 -0.915998D+00
      3   0.836044D+01  0.569545D+00 -0.482793D+00 -0.160086D-01 -0.887852D-01
                41            42            43            44            45 
      1  -0.915998D+00 -0.887852D-01  0.289155D+01  0.189980D+00  0.244729D+00
      2  -0.322017D+01  0.959797D+00  0.189980D+00  0.127799D+01 -0.694632D+00
      3   0.959797D+00  0.564524D+00  0.244729D+00 -0.694632D+00 -0.127281D+01
                46            47            48            49            50 
      1  -0.413145D+01  0.546348D+00 -0.188177D+00  0.317998D+01  0.189332D+01
      2   0.546348D+00  0.178867D+01  0.900648D+00  0.189332D+01 -0.160234D+01
      3  -0.188177D+00  0.900648D+00 -0.374466D+00  0.124513D+00 -0.553800D+00
                51            52            53            54            55 
      1   0.124513D+00 -0.151972D+01  0.368588D+00 -0.810410D-01  0.455702D+01
      2  -0.553800D+00  0.368588D+00 -0.134089D+01 -0.160446D+00 -0.104262D+01
      3  -0.205045D+01 -0.810410D-01 -0.160446D+00  0.861167D+01  0.129890D+01
                56            57            58            59            60 
      1  -0.104262D+01  0.129890D+01 -0.365589D+00  0.919291D-02 -0.265378D+00
      2   0.190441D+01 -0.153851D+00  0.919291D-02  0.766139D+01  0.133905D+01
      3  -0.153851D+00  0.780149D+00 -0.265378D+00  0.133905D+01 -0.210477D+00
                61            62            63            64            65 
      1   0.201440D+01 -0.101075D+01  0.125871D+00  0.466850D+00 -0.336745D+00
      2  -0.101075D+01  0.332838D+01  0.153907D+01 -0.336745D+00 -0.350007D+00
      3   0.125871D+00  0.153907D+01  0.306430D+00 -0.922625D+00 -0.138907D-01
                66            67            68            69            70 
      1  -0.922625D+00 -0.162468D+00 -0.340167D+00  0.457867D-02 -0.170087D+01
      2  -0.138907D-01 -0.340167D+00  0.779406D+00 -0.108642D+01  0.119195D+00
      3   0.159536D+00  0.457867D-02 -0.108642D+01  0.373452D+00  0.147551D-01
                71            72            73            74            75 
      1   0.119195D+00  0.147551D-01 -0.358754D+01  0.340345D+01 -0.105518D+01
      2  -0.188438D+01  0.830651D+00  0.340345D+01  0.874160D+00 -0.924069D-01
      3   0.830651D+00 -0.762231D+01 -0.105518D+01 -0.924069D-01  0.856212D+00
                76            77            78            79            80 
      1   0.665679D+01 -0.309192D+00  0.358946D+00 -0.313050D+01  0.242947D+00
      2  -0.309192D+00  0.346039D+01 -0.909362D+00  0.242947D+00 -0.111512D+01
      3   0.358946D+00 -0.909362D+00  0.525756D+00 -0.128792D+01  0.529287D+00
                81            82            83            84            85 
      1  -0.128792D+01 -0.698104D+00  0.350848D+00  0.107081D+01  0.272201D+00
      2   0.529287D+00  0.350848D+00  0.252778D+00  0.393866D-01  0.265291D+00
      3  -0.262438D+00  0.107081D+01  0.393866D-01 -0.295577D+00  0.706148D-01
                86            87            88            89            90 
      1   0.265291D+00  0.706148D-01  0.201114D+01  0.119052D+00 -0.740886D+00
      2  -0.469299D+00  0.105817D+01  0.119052D+00  0.158033D+01 -0.282895D+00
      3   0.105817D+01 -0.579107D+00 -0.740886D+00 -0.282895D+00  0.784192D+01
                91            92            93            94            95 
      1  -0.256323D+00  0.206550D+00  0.101686D+01  0.323653D+00  0.470551D+00
      2   0.206550D+00  0.446008D+00  0.530293D-01  0.470551D+00 -0.384198D+00
      3   0.101686D+01  0.530293D-01 -0.716645D-01  0.741828D-01  0.907472D+00
                96            97            98            99           100 
      1   0.741828D-01  0.185649D+01 -0.208606D-01  0.315762D+00  0.603335D+01
      2   0.907472D+00 -0.208606D-01  0.168559D+01  0.152246D+00  0.195366D+01
      3  -0.254551D+00  0.315762D+00  0.152246D+00  0.747583D+01 -0.822137D+00
               101           102           103           104           105 
      1   0.195366D+01 -0.822137D+00  0.773976D+00  0.302422D+01  0.161030D+00
      2   0.360487D+01  0.157200D+00  0.302422D+01 -0.328836D+01 -0.980681D+00
      3   0.157200D+00 -0.829405D-01  0.161030D+00 -0.980681D+00 -0.767672D+00
               106           107           108           109           110 
      1  -0.188484D+01 -0.482953D+00  0.110532D+01  0.106425D+01 -0.292886D+01
      2  -0.482953D+00 -0.220651D+01  0.458886D+00 -0.292886D+01  0.646435D+00
      3   0.110532D+01  0.458886D+00 -0.140530D+00  0.169369D+01 -0.406267D+00
               111           112           113           114           115 
      1   0.169369D+01 -0.281032D+01 -0.180144D+01  0.453819D-01  0.293826D+01
      2  -0.406267D+00 -0.180144D+01  0.683529D+01  0.126969D+01  0.425420D-01
      3   0.113988D+01  0.453819D-01  0.126969D+01 -0.324395D+00 -0.196560D+00
               116           117           118           119           120 
      1   0.425420D-01 -0.196560D+00  0.839415D+00 -0.596940D+00 -0.105655D+01
      2   0.138630D+01  0.765097D+00 -0.596940D+00 -0.835831D-01 -0.246901D-01
      3   0.765097D+00 -0.793173D+01 -0.105655D+01 -0.246901D-01  0.667614D+00
               121           122           123           124           125 
      1  -0.681970D+00 -0.109112D+00 -0.690022D-01 -0.241638D+01 -0.111854D+00
      2  -0.109112D+00  0.223664D+00 -0.975474D+00 -0.111854D+00 -0.134027D+01
      3  -0.690022D-01 -0.975474D+00 -0.996735D-01  0.910479D+00 -0.485027D+00
               126           127           128           129           130 
      1   0.910479D+00 -0.414683D+01 -0.251308D+01  0.773583D-01 -0.284533D+01
      2  -0.485027D+00 -0.251308D+01 -0.279443D+01 -0.799043D-01 -0.282810D+01
      3  -0.765349D+01  0.773583D-01 -0.799043D-01  0.501477D-01 -0.439577D+00
               131           132           133           134           135 
      1  -0.282810D+01 -0.439577D+00 -0.757176D+00 -0.958078D+00  0.165480D+00
      2  -0.527336D+01 -0.595285D+00 -0.958078D+00 -0.198434D+01  0.117247D+01
      3  -0.595285D+00  0.132445D+01  0.165480D+00  0.117247D+01 -0.556786D+01
               136           137           138           139           140 
      1   0.373569D-02 -0.365124D+00 -0.119593D+01 -0.480670D+00 -0.577448D+00
      2  -0.365124D+00 -0.428199D+00 -0.892515D-01 -0.577448D+00 -0.332324D+00
      3  -0.119593D+01 -0.892515D-01 -0.233017D+00  0.981041D-01 -0.953742D+00
               141           142           143           144           145 
      1   0.981041D-01 -0.224672D+01 -0.378825D+00 -0.958705D+00 -0.592439D+01
      2  -0.953742D+00 -0.378825D+00 -0.151602D+01 -0.117754D+01  0.330382D+01
      3  -0.147116D+00 -0.958705D+00 -0.117754D+01 -0.812460D+01 -0.525841D+00
               146           147           148           149           150 
      1   0.330382D+01 -0.525841D+00  0.232402D+01 -0.191747D+01  0.153702D+00
      2  -0.383004D+01  0.458646D-01 -0.191747D+01  0.272408D+01 -0.263872D+00
      3   0.458646D-01 -0.106091D+01  0.153702D+00 -0.263872D+00  0.711213D+00
               151           152           153           154           155 
      1  -0.123780D+01  0.628676D+00 -0.794492D+00 -0.700405D+01 -0.211969D+01
      2   0.628676D+00 -0.102191D+01  0.756733D+00 -0.211969D+01 -0.212364D+01
      3  -0.794492D+00  0.756733D+00 -0.118601D+00 -0.195045D-01  0.506755D-01
               156           157           158           159           160 
      1  -0.195045D-01 -0.475979D+01 -0.191273D+01 -0.197107D+00  0.853343D+00
      2   0.506755D-01 -0.191273D+01 -0.248632D+01  0.219065D+00  0.163659D+00
      3  -0.104144D+01 -0.197107D+00  0.219065D+00 -0.622201D+00 -0.980854D+00
               161           162           163           164           165 
      1   0.163659D+00 -0.980854D+00 -0.469509D+00  0.691005D+00  0.218274D+00
      2   0.389248D+00 -0.254325D+00  0.691005D+00 -0.105180D+01 -0.329816D-01
      3  -0.254325D+00 -0.958139D-01  0.218274D+00 -0.329816D-01  0.840460D-01
               166           167           168           169           170 
      1   0.234815D+01  0.641533D+00 -0.116765D+00  0.566168D+00 -0.123567D-01
      2   0.641533D+00  0.874941D+01  0.512536D+00 -0.123567D-01  0.129898D+01
      3  -0.116765D+00  0.512536D+00  0.113048D+01  0.212995D+00  0.993544D+00
               171           172           173           174           175 
      1   0.212995D+00  0.863096D+01  0.727458D+00 -0.147013D+01 -0.197727D+00
      2   0.993544D+00  0.727458D+00  0.827100D+00  0.194782D+00  0.259801D+01
      3   0.131391D+00 -0.147013D+01  0.194782D+00  0.989321D-01  0.249817D+00
               176           177           178           179           180 
      1   0.259801D+01  0.249817D+00 -0.289283D+01 -0.176550D+00  0.178789D+01
      2  -0.470172D+01 -0.560898D+00 -0.176550D+00 -0.613011D+00  0.509853D-01
      3  -0.560898D+00 -0.100215D+01  0.178789D+01  0.509853D-01 -0.625229D+00
               181           182           183           184           185 
      1   0.707948D+00 -0.107729D+01 -0.526609D+00 -0.231143D+01  0.232916D+01
      2  -0.107729D+01  0.558234D+00  0.862066D-01  0.232916D+01 -0.937235D+01
      3  -0.526609D+00  0.862066D-01  0.263769D+00  0.843301D-01 -0.736726D+00
               186           187           188           189           190 
      1   0.843301D-01 -0.115235D+01  0.379871D+00  0.468258D+00  0.900168D-01
      2  -0.736726D+00  0.379871D+00 -0.156701D+01 -0.125243D+01  0.258162D+00
      3  -0.977272D+00  0.468258D+00 -0.125243D+01  0.125026D+00  0.114397D+01
               191           192           193           194           195 
      1   0.258162D+00  0.114397D+01  0.834287D+00  0.231496D+00 -0.201929D-01
      2   0.231409D-01  0.348334D-01  0.231496D+00 -0.783720D+00  0.975433D+00
      3   0.348334D-01 -0.844201D-01 -0.201929D-01  0.975433D+00  0.404929D+00
               196           197           198           199           200 
      1   0.213020D+01 -0.260561D+00  0.933262D+00 -0.607565D+00 -0.283809D+00
      2  -0.260561D+00  0.139129D+01 -0.112217D+01 -0.283809D+00  0.395323D-01
      3   0.933262D+00 -0.112217D+01  0.881848D+01  0.444735D+00 -0.140768D+00
               201           202           203           204           205 
      1   0.444735D+00 -0.382993D+00 -0.343174D+00  0.214337D+00  0.206764D+01
      2  -0.140768D+00 -0.343174D+00 -0.159587D+01  0.952891D+00  0.105043D+01
      3   0.297030D+00  0.214337D+00  0.952891D+00 -0.122386D+01 -0.123159D+01
               206           207           208           209           210 
      1   0.105043D+01 -0.123159D+01  0.357750D+00  0.122418D+01  0.110657D+00
      2   0.300001D+01 -0.270816D+01  0.122418D+01 -0.345903D+00 -0.844488D-01
      3  -0.270816D+01  0.625710D+01  0.110657D+00 -0.844488D-01  0.428398D+00
               211           212           213           214           215 
      1   0.350546D+01 -0.485350D+00 -0.331006D+00  0.314816D+00 -0.167449D+00
      2  -0.485350D+00  0.580998D+01 -0.896413D-01 -0.167449D+00  0.311620D+00
      3  -0.331006D+00 -0.896413D-01  0.103726D+01  0.532283D+00  0.363720D+00
               216 
      1   0.532283D+00
      2   0.363720D+00
      3  -0.314141D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100193D+01  0.162979D+00 -0.482031D+00 -0.131013D+01  0.201419D+01
      2   0.903264D+00  0.270794D-01  0.143441D+01  0.722410D+00  0.159424D+01
      3  -0.144853D+01  0.136394D+00 -0.688051D+00  0.537595D+01 -0.109059D+01
                 6             7             8             9            10 
      1   0.616878D+00  0.712508D+00  0.387688D+01 -0.843507D+01 -0.622463D+00
      2   0.266462D+00 -0.286672D+01 -0.104296D+00 -0.515842D+01 -0.217689D+01
      3  -0.200675D+00 -0.602494D+00 -0.155226D+01 -0.108214D+01 -0.229912D+01
                11            12            13            14            15 
      1  -0.195756D+01 -0.741891D+00 -0.378282D+00 -0.181889D+01 -0.160680D+01
      2  -0.351031D+00  0.441500D+00  0.449612D+00 -0.121485D+01 -0.183240D+01
      3  -0.458848D+01 -0.165615D+00  0.131699D+01  0.219766D+01  0.220939D+01
                16            17            18            19            20 
      1  -0.115929D+01  0.219307D+01 -0.626839D+00 -0.166582D+01 -0.154134D-01
      2  -0.362391D+01 -0.104401D+01  0.120864D+02 -0.189607D+00  0.102129D+01
      3  -0.682111D+00  0.155335D+01  0.970150D+00  0.246586D+01 -0.395177D+01
                21            22            23            24            25 
      1   0.530665D+00 -0.110823D+01 -0.145575D+01 -0.833213D+00  0.475642D+00
      2   0.133387D+00  0.574923D+00  0.808375D+00 -0.217797D+00 -0.440432D+01
      3   0.132718D+00  0.219600D+01 -0.404225D+01 -0.135542D+01  0.168517D+01
                26            27            28            29            30 
      1   0.217188D+01  0.543788D+01 -0.157032D+01  0.329974D+00  0.114830D+01
      2   0.394805D+00 -0.457662D+01 -0.112768D+01  0.990397D+00 -0.226649D+01
      3  -0.828726D+00 -0.363825D+00 -0.619953D+01 -0.824783D+01  0.344860D+00
                31            32            33            34            35 
      1  -0.761691D+00  0.896019D-01 -0.332690D+00 -0.239609D+00  0.344714D+01
      2  -0.637623D+00 -0.804172D+00 -0.283208D+01 -0.538010D+01  0.791775D+00
      3  -0.451118D+01  0.559662D+01  0.182674D+01  0.794799D+00  0.910450D+00
                36            37            38            39            40 
      1   0.422785D+01  0.194019D+01 -0.269935D-01 -0.125874D+01  0.472376D+00
      2   0.138299D+02  0.302269D+00  0.116608D+00  0.102556D+02 -0.273425D+00
      3   0.402334D+00 -0.375839D+01 -0.138827D+01 -0.145269D+01  0.181777D+02
                41            42            43            44            45 
      1   0.904560D+00 -0.440865D+01  0.204877D+01  0.219912D+01 -0.252304D+00
      2  -0.813106D-01  0.554998D+00 -0.657717D+01 -0.156507D+01  0.115635D+01
      3   0.194806D+01 -0.445878D-01 -0.464097D+01 -0.509382D+00 -0.303003D+00
                46            47            48            49            50 
      1  -0.247001D+00  0.234607D+00 -0.517851D+00 -0.844354D+00  0.179602D+00
      2   0.114769D+01  0.336853D+00 -0.413097D+01 -0.273443D+00  0.188165D+01
      3   0.741734D+01  0.394520D+01  0.592033D+00 -0.100227D+01 -0.130457D+01
                51            52            53            54            55 
      1  -0.120440D+01 -0.225036D+01  0.297061D+01  0.957369D+01 -0.416900D+01
      2   0.325244D+01 -0.397929D+01 -0.837868D+00 -0.142636D+02 -0.361799D+01
      3  -0.177619D+01  0.188872D+01 -0.203373D+01 -0.297871D+00  0.159161D+02
                56            57            58            59            60 
      1   0.164293D+01 -0.147243D+01  0.212923D+01 -0.385026D+01 -0.580768D+01
      2   0.275945D+01  0.995201D+00  0.799398D+00 -0.218582D+01 -0.369606D+00
      3  -0.518976D+01  0.269528D+01  0.386241D+01  0.913219D+01  0.196224D+00
                61            62            63            64            65 
      1  -0.118299D+01  0.113607D+01 -0.297233D+01  0.116441D+01 -0.689828D-01
      2  -0.442856D+01 -0.461949D-01 -0.107938D+01  0.999345D+00 -0.548388D+00
      3   0.606890D+01  0.161044D+01  0.175010D+01  0.407595D+00 -0.160090D+01
                66            67            68            69            70 
      1  -0.423397D+00 -0.126113D-01  0.154027D+01 -0.477824D+00 -0.274345D+00
      2   0.939921D+00 -0.342410D+00  0.501930D+00  0.135677D-01 -0.387785D+01
      3  -0.990450D+00  0.581746D+00  0.153512D+00 -0.655727D+00 -0.240413D+01
                71            72            73            74            75 
      1   0.361835D+01  0.907883D+01 -0.115713D+01 -0.225902D-01  0.144334D+01
      2  -0.392117D+00  0.515737D+01  0.538611D+01  0.140586D+01  0.421045D+01
      3  -0.110848D+01  0.834980D+00  0.112295D+02  0.313083D+00 -0.307174D+00
                76            77            78            79            80 
      1  -0.203250D+01 -0.559098D+00 -0.240901D+01  0.163824D+01  0.312415D+01
      2   0.115845D+01  0.273749D+01 -0.358397D+01 -0.118873D+01 -0.178000D+01
      3   0.766894D+01  0.170470D+02 -0.201331D+01 -0.231052D+00 -0.514830D+01
                81            82            83            84            85 
      1   0.386713D+00  0.115906D+00  0.276473D+00  0.651831D-02  0.682456D+00
      2   0.257674D+01 -0.216774D+01 -0.867749D-01  0.659989D+00  0.778832D-01
      3   0.933644D+00  0.656628D+00 -0.410461D+00  0.830111D-01  0.156507D+01
                86            87            88            89            90 
      1  -0.375355D+00 -0.160555D+01  0.398962D+00  0.409913D+01 -0.120402D+01
      2  -0.182785D+01  0.102801D+01 -0.328639D+01  0.315411D+00 -0.126247D+02
      3  -0.499320D+00  0.127969D+01  0.277018D+00  0.296145D+01 -0.624980D-01
                91            92            93            94            95 
      1  -0.954769D+00  0.205257D+00  0.520653D+00  0.167602D+00 -0.124812D+01
      2   0.146096D+01  0.322199D+00  0.236941D+00  0.646355D+00  0.241628D+00
      3  -0.318765D+00 -0.979189D+00  0.741007D+00  0.109521D+01  0.211715D+00
                96            97            98            99           100 
      1  -0.602578D+00 -0.470027D+00  0.411188D+01 -0.627803D+01  0.210161D+01
      2  -0.646105D+00 -0.448766D+01  0.371985D+00  0.474734D+01 -0.174826D+01
      3  -0.384020D+00  0.129176D+01 -0.116508D+01 -0.610865D-01  0.925023D+01
               101           102           103           104           105 
      1  -0.845921D-01 -0.196490D+01  0.950302D+00  0.462428D+01 -0.220595D+01
      2  -0.798726D+00  0.504581D+01  0.273492D+00 -0.171463D+01  0.103682D+01
      3  -0.108052D+02 -0.130837D+01 -0.182274D+01  0.145947D+02  0.241676D+01
               106           107           108           109           110 
      1  -0.159221D+01  0.371626D+01  0.165562D+01  0.147191D+01 -0.907577D-01
      2  -0.127411D+01  0.664943D+00 -0.124165D+01  0.252079D+01 -0.422115D+00
      3  -0.421662D+01  0.424042D+01  0.861752D+00  0.344971D+01  0.301965D+01
               111           112           113           114           115 
      1   0.210125D+01 -0.157361D+01  0.726802D+01 -0.126043D+01 -0.127885D+01
      2   0.133030D+01  0.389959D+00  0.310594D+01 -0.219921D+01 -0.490751D+01
      3  -0.107630D+01  0.117734D+02 -0.139556D+02 -0.319388D+01 -0.320061D+01
               116           117           118           119           120 
      1   0.285492D+01 -0.132450D+02 -0.377528D+00  0.161667D+00  0.578632D+00
      2   0.219071D+01 -0.175661D+02 -0.969948D+00 -0.337046D+00  0.177276D+01
      3  -0.393235D+01 -0.202869D+01  0.584972D+00 -0.529752D-01  0.863747D+00
               121           122           123           124           125 
      1  -0.531645D-01 -0.106748D+01 -0.649387D+00  0.371335D+00  0.347660D+01
      2   0.447295D-01 -0.128243D+01  0.159144D-02 -0.384153D+01 -0.531391D+00
      3   0.209568D+01 -0.100241D+01  0.139553D+01  0.212322D+01  0.233580D+01
               126           127           128           129           130 
      1  -0.400113D+01 -0.180035D+00 -0.618374D+00 -0.156866D+01  0.184085D+00
      2  -0.106023D+02 -0.277703D+00 -0.146143D+01  0.571236D+01  0.615085D+00
      3  -0.323942D+00  0.605361D+01 -0.614534D+01  0.839115D+00  0.639883D+01
               131           132           133           134           135 
      1  -0.137136D+00 -0.279005D+01  0.233144D+01  0.544682D+01 -0.147592D+02
      2   0.985496D+00 -0.124673D+01 -0.132160D+01 -0.362125D+01  0.122159D+02
      3  -0.571576D+01 -0.634094D+00  0.391142D+00 -0.113726D+01  0.259888D+01
               136           137           138           139           140 
      1  -0.138481D+01  0.971797D-01 -0.433546D+00  0.748239D+00 -0.130500D+01
      2   0.201391D+01  0.507688D-02  0.943470D+00  0.213995D+00  0.101412D+01
      3  -0.646774D+00 -0.135071D+01  0.179359D+01  0.765224D+00  0.976991D+00
               141           142           143           144           145 
      1  -0.652858D+00 -0.574621D+00  0.302418D+01 -0.923492D+01  0.329524D+01
      2  -0.108009D+00 -0.345304D+01  0.123234D+01  0.120037D+02  0.332150D+01
      3  -0.143736D+01  0.329110D+01 -0.179551D+01  0.749821D+00 -0.160990D+02
               146           147           148           149           150 
      1  -0.143153D+01  0.356589D+01 -0.114773D+01  0.140021D+01 -0.185045D+01
      2  -0.191549D+01  0.270894D+01 -0.133174D+01  0.115996D+01 -0.142523D+01
      3   0.266688D+01 -0.201481D+01  0.492347D+01 -0.280802D+01  0.170354D+00
               151           152           153           154           155 
      1   0.233784D+01 -0.112108D+01  0.570420D+00  0.151585D+01  0.884329D+00
      2   0.842938D+00 -0.137511D+01  0.600485D+00 -0.264610D+01 -0.138746D+01
      3  -0.402262D+01  0.344485D+00 -0.118106D+01 -0.105796D+02 -0.986160D+01
               156           157           158           159           160 
      1  -0.424977D+00  0.129026D+01  0.884199D+00 -0.392800D+00 -0.342284D+00
      2   0.387058D+01 -0.173835D+01 -0.178830D+01  0.283028D+01  0.201983D+01
      3   0.186826D+00 -0.783152D+01 -0.132147D+02  0.956988D+00  0.761889D+00
               161           162           163           164           165 
      1   0.909941D+00  0.408787D+00 -0.504500D+00  0.537162D+00  0.237515D+00
      2   0.102560D+01  0.921342D-01  0.520734D+00 -0.152984D+00 -0.242367D+00
      3   0.236922D+01 -0.819649D+00 -0.479494D+01  0.446515D+01  0.904108D+00
               166           167           168           169           170 
      1   0.453708D+00 -0.314861D+01 -0.369789D+01 -0.374062D+00 -0.161000D+01
      2  -0.445234D+00  0.705646D+00  0.164381D+01 -0.901808D+00  0.140472D+01
      3   0.717973D+01 -0.189871D+02 -0.180429D+01  0.215085D+01 -0.344766D+01
               171           172           173           174           175 
      1  -0.525488D+00 -0.104533D+01 -0.836495D+00 -0.173984D+01  0.109472D+01
      2   0.629890D-01 -0.399072D+01 -0.888397D+00  0.734502D+01  0.591037D+00
      3  -0.117828D+01 -0.906026D+01 -0.125453D+02  0.149856D+01 -0.824616D+01
               176           177           178           179           180 
      1   0.194549D+01 -0.345482D+01  0.219965D+01  0.394434D+01  0.335346D+00
      2  -0.145377D+01 -0.180672D+01  0.195350D+01 -0.998583D-01 -0.357146D+01
      3   0.212017D+02  0.894683D+00  0.190264D+01  0.376840D+01 -0.183722D+01
               181           182           183           184           185 
      1  -0.146859D+01  0.476813D+00  0.701716D+00  0.899429D+00 -0.506290D+01
      2  -0.137862D+01  0.529324D+00  0.138501D+01  0.447705D+00 -0.196038D+01
      3   0.207682D+01 -0.870911D+00  0.663677D+00  0.688954D+00  0.202729D+02
               186           187           188           189           190 
      1  -0.444291D+01  0.989236D+00 -0.167973D+01 -0.355915D+00  0.201576D+01
      2  -0.266188D+01  0.484743D+00 -0.296629D+01  0.251063D+00  0.362773D+01
      3   0.188521D+01  0.182253D+01  0.325366D+01  0.237926D+01 -0.579827D-01
               191           192           193           194           195 
      1  -0.104909D+00 -0.291156D-01 -0.204768D+00  0.108194D+01  0.636891D+00
      2  -0.151779D+00 -0.503775D-01 -0.825179D+00  0.258429D+01  0.968061D+00
      3  -0.130085D+01 -0.151875D+01 -0.102358D+01  0.139266D+01 -0.207128D+01
               196           197           198           199           200 
      1   0.651327D+00  0.270886D+01  0.127756D+02  0.103913D+01  0.173691D-01
      2  -0.269109D+01 -0.234842D+01  0.212313D+02 -0.217745D+01 -0.925514D-01
      3  -0.237885D+01 -0.325961D+01  0.233157D+01 -0.242984D+00  0.185342D+00
               201           202           203           204           205 
      1   0.943237D+00  0.512401D+00  0.254795D+01 -0.329878D+01 -0.319737D+01
      2  -0.714625D+00 -0.732842D+00 -0.233847D+01  0.301112D+01  0.132813D+00
      3  -0.118981D+01  0.476353D+00 -0.207361D+01  0.154551D+01 -0.304880D+01
               206           207           208           209           210 
      1  -0.444755D+01  0.165795D+02 -0.314658D+00  0.231456D+00 -0.720352D+00
      2   0.613076D+01 -0.141101D+02  0.879993D-01  0.197522D+00  0.513879D+00
      3   0.393525D+01 -0.317947D+01 -0.457403D+01  0.349059D+01  0.257451D+00
               211           212           213           214           215 
      1   0.186673D-01 -0.356920D+01  0.200229D+00 -0.647320D+00  0.895428D+00
      2  -0.404788D+00 -0.668791D+00  0.432258D+01  0.125572D+00  0.161581D+01
      3   0.522776D+01 -0.294590D+02  0.618842D+00  0.978538D+00 -0.136457D+01
               216 
      1  -0.239587D-01
      2  -0.104255D+01
      3  -0.109375D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.213845D+01 -0.684288D+01 -0.747382D-01 -0.531440D+01  0.102162D+02
      2   0.178951D+01  0.928569D+01 -0.525459D+00  0.639979D+01 -0.203635D+02
      3  -0.392796D+01 -0.244281D+01  0.600197D+00 -0.108539D+01  0.101473D+02
      4  -0.380618D+01 -0.113419D+01 -0.474450D+00 -0.799962D+01  0.873394D+01
      5   0.116544D+01 -0.903999D+00  0.766931D-01 -0.269410D+01  0.143478D+01
      6   0.848564D+00  0.132620D+01  0.929358D+00  0.235211D+01 -0.579938D+01
                 6             7             8             9            10 
      1   0.188888D+01  0.168678D+01  0.423537D+01  0.779794D+01 -0.170685D+02
      2  -0.994182D+00 -0.263835D+00 -0.987679D+01  0.379905D+01  0.794939D+01
      3  -0.894703D+00 -0.142295D+01  0.564142D+01 -0.115970D+02  0.911910D+01
      4   0.200813D+01 -0.208133D+01  0.345814D+01 -0.637631D-01  0.944612D+01
      5   0.641883D+00  0.203750D+01  0.115974D+01 -0.111443D+02 -0.612238D+01
      6  -0.684045D+01 -0.312934D+00 -0.175357D+01  0.210719D+02  0.365027D+00
                11            12            13            14            15 
      1   0.412779D+01 -0.862681D+00  0.993490D+01  0.623381D+01  0.129519D+01
      2  -0.833733D+00  0.303740D+01 -0.622628D+01 -0.148588D+01 -0.177270D+01
      3  -0.329406D+01 -0.217472D+01 -0.370861D+01 -0.474793D+01  0.477513D+00
      4  -0.309689D+01  0.963918D+00  0.544905D+01 -0.541415D+01 -0.168421D+01
      5   0.906706D+00 -0.333562D+01  0.290001D+01 -0.408587D+00 -0.329380D+01
      6  -0.193830D+01  0.211951D+01 -0.110399D+01  0.269271D+00  0.633790D+00
                16            17            18            19            20 
      1  -0.102189D+02  0.173064D+01  0.569945D+01 -0.660942D+01  0.718691D+00
      2   0.355647D+01 -0.177714D+01  0.679164D+01  0.537312D+00 -0.591125D+01
      3   0.666241D+01  0.464989D-01 -0.124911D+02  0.607211D+01  0.519256D+01
      4   0.547776D+01 -0.295979D+01 -0.254639D+01 -0.555803D+01 -0.850953D+01
      5  -0.111535D+01 -0.221055D+01  0.307964D+02  0.268924D+01  0.125557D+01
      6   0.227067D+00  0.481774D+00  0.124265D+01 -0.290402D+00  0.145343D+01
                21            22            23            24            25 
      1  -0.703796D+00 -0.638583D+01 -0.430957D+01 -0.134026D+01  0.220935D+01
      2  -0.176304D+01  0.617480D+00  0.387619D+01 -0.162360D-01  0.794065D+00
      3   0.246683D+01  0.576835D+01  0.433384D+00  0.135649D+01 -0.300342D+01
      4   0.472844D+00 -0.925791D+01 -0.226622D+01 -0.187548D+00  0.399412D+01
      5  -0.344358D+01  0.180140D+01  0.270064D+00 -0.961482D+00  0.426383D+00
      6  -0.164584D+01  0.334311D-01  0.238512D+01 -0.106579D+01 -0.115936D+00
                26            27            28            29            30 
      1   0.180579D+00  0.484680D+01 -0.911317D+01  0.939924D+01 -0.352097D+01
      2   0.160467D+01  0.911855D+01  0.349200D+01 -0.748547D+01  0.637013D+00
      3  -0.178525D+01 -0.139654D+02  0.562117D+01 -0.191376D+01  0.288395D+01
      4   0.345327D+01  0.128789D+01 -0.203771D+01 -0.721617D+01  0.267372D+01
      5   0.608272D+00 -0.108856D+02 -0.409388D+01  0.151190D+01 -0.797301D+01
      6   0.321501D+01 -0.128083D+02  0.399339D+01 -0.738266D+00  0.438864D+00
                31            32            33            34            35 
      1   0.669647D+01  0.387539D+01 -0.333335D+01 -0.212538D+01  0.149951D+00
      2  -0.455928D+01 -0.389977D+01  0.125244D+00 -0.145987D+01  0.104285D+01
      3  -0.213719D+01  0.243776D-01  0.320811D+01  0.358525D+01 -0.119280D+01
      4  -0.711033D+01 -0.138422D+02 -0.111046D+01  0.133620D+01 -0.206821D+01
      5   0.246848D+00 -0.413131D+00 -0.443089D+01 -0.249538D+01  0.349323D+00
      6  -0.445216D+00  0.182938D+01 -0.182454D+01  0.733571D+00 -0.103552D+00
                36            37            38            39            40 
      1   0.552198D+01  0.159101D+01 -0.209071D+01 -0.117462D+01  0.746121D+00
      2   0.575951D+01  0.846353D+00  0.220961D+01 -0.267965D+00  0.300685D+00
      3  -0.112815D+02 -0.243736D+01 -0.118893D+00  0.144259D+01 -0.104681D+01
      4   0.623427D+00 -0.175694D+01  0.157803D+02 -0.177551D+01  0.136863D+02
      5   0.240064D+02  0.138441D+01 -0.288880D+00  0.170459D+02 -0.155397D+01
      6  -0.101207D+02 -0.188617D+01  0.169922D+01  0.232902D+01 -0.523911D+00
                41            42            43            44            45 
      1  -0.144455D+02  0.370264D+01  0.801090D+00  0.271720D+01 -0.553420D+01
      2   0.196151D+02 -0.127640D+01 -0.184002D+01 -0.313442D+01 -0.440636D+00
      3  -0.516958D+01 -0.242624D+01  0.103893D+01  0.417225D+00  0.597483D+01
      4   0.305447D+01 -0.471081D+00 -0.644455D+01 -0.398749D-01 -0.160207D+01
      5  -0.872732D+00  0.177752D+01  0.449775D+01 -0.477997D+00  0.219838D+01
      6  -0.362429D+01  0.480380D+01 -0.103490D+01  0.621036D+01  0.119848D+01
                46            47            48            49            50 
      1  -0.952797D+01  0.370481D+01  0.419332D+01 -0.867051D+01 -0.249643D+01
      2   0.493727D+01 -0.854809D+01 -0.144811D+01  0.438582D+00 -0.489991D+01
      3   0.459069D+01  0.484329D+01 -0.274521D+01  0.823193D+01  0.739634D+01
      4   0.234917D+01 -0.191482D+02 -0.134495D+01 -0.171539D+02 -0.368418D+01
      5   0.468523D+00 -0.873606D+00 -0.931276D+01  0.181781D+01  0.747265D+00
      6  -0.579649D+00 -0.253841D+01 -0.206149D+01  0.568200D+00  0.153468D+01
                51            52            53            54            55 
      1  -0.106380D+01  0.459918D+01 -0.809570D+00  0.823544D+01 -0.428121D+01
      2  -0.896413D+00  0.746702D+00  0.602232D+01  0.791660D+01 -0.342620D+01
      3   0.196021D+01 -0.534588D+01 -0.521275D+01 -0.161520D+02  0.770742D+01
      4   0.147565D+01  0.193616D+01  0.185767D+01  0.224116D+01  0.223488D+02
      5   0.439620D+01 -0.149811D+01  0.212603D+00 -0.267818D+02 -0.220789D+01
      6  -0.785866D+00  0.779688D+00  0.509752D+00 -0.235371D+02  0.646426D+01
                56            57            58            59            60 
      1   0.806558D+00 -0.248929D+01  0.328497D+01 -0.309370D+02 -0.567781D+01
      2   0.495026D+01  0.581255D+00 -0.151073D+01  0.465046D+02  0.490536D+01
      3  -0.575682D+01  0.190803D+01 -0.177423D+01 -0.155676D+02  0.772452D+00
      4  -0.608120D+01  0.534504D+01  0.228131D+01 -0.136416D+02 -0.386803D+01
      5   0.961114D+00  0.349030D+01  0.151638D+01 -0.284371D+01 -0.138456D+01
      6  -0.180032D+01  0.179245D+01 -0.259220D+01  0.106856D+02  0.110327D+02
                61            62            63            64            65 
      1  -0.162068D+01 -0.937108D+01 -0.835178D+01 -0.190398D+00  0.593354D+00
      2  -0.217692D+01  0.154937D+02  0.441363D+01 -0.312518D+01 -0.771826D+00
      3   0.379761D+01 -0.612260D+01  0.393815D+01  0.331558D+01  0.178472D+00
      4   0.104695D+02 -0.995131D+01 -0.178784D+01  0.830747D+00  0.214711D+01
      5   0.317034D+01 -0.356578D+01 -0.231686D+01  0.117289D+01 -0.961568D+00
      6  -0.811184D-01  0.135950D+02  0.640373D+01 -0.305087D+01 -0.522290D+00
                66            67            68            69            70 
      1   0.162622D+01  0.559601D+00 -0.421332D+01  0.276584D+01  0.192217D+01
      2  -0.591980D+00 -0.797807D+00  0.282807D+01 -0.358482D+01 -0.531250D+00
      3  -0.103424D+01  0.238207D+00  0.138525D+01  0.818982D+00 -0.139092D+01
      4  -0.253805D+01  0.202579D+01 -0.133361D+01  0.143643D+01 -0.340690D+01
      5   0.612009D+01  0.358269D-01  0.123369D+01 -0.162310D+00  0.337309D+01
      6   0.870663D+00 -0.575776D-01 -0.365223D+01  0.645425D+01 -0.270100D+00
                71            72            73            74            75 
      1   0.477629D+01 -0.153758D+02  0.214666D+02 -0.209128D+02  0.447729D+01
      2  -0.450597D+01 -0.118340D+02 -0.118372D+02  0.107476D+02 -0.527512D+01
      3  -0.270317D+00  0.272099D+02 -0.962935D+01  0.101652D+02  0.797830D+00
      4   0.288619D+01 -0.471701D+00 -0.267683D+02  0.490962D+01 -0.654830D+00
      5  -0.115787D+01  0.102585D+02  0.897513D+01 -0.307344D+00  0.757288D+01
      6   0.589232D+01 -0.223202D+02 -0.251608D+01  0.905587D+00 -0.260047D+01
                76            77            78            79            80 
      1  -0.411637D+02 -0.634864D+01 -0.645965D+00  0.173917D+02  0.454638D-01
      2   0.235225D+02  0.759657D+01  0.117002D+01 -0.110251D+02  0.158383D+00
      3   0.176412D+02 -0.124793D+01 -0.524052D+00 -0.636654D+01 -0.203847D+00
      4   0.492648D+01 -0.197500D+02  0.467046D+01 -0.352608D+01  0.686229D+01
      5  -0.316044D+01  0.503024D+01 -0.536473D+01  0.135316D+02 -0.420014D+01
      6   0.215553D+00 -0.182960D+01  0.497868D+01 -0.250855D+01  0.400428D+01
                81            82            83            84            85 
      1   0.371312D+01  0.261359D+01 -0.936646D+00 -0.461027D+01 -0.705800D+00
      2  -0.671411D+01 -0.421931D+01  0.341192D+00  0.278558D+01  0.299918D+00
      3   0.300098D+01  0.160572D+01  0.595455D+00  0.182469D+01  0.405882D+00
      4  -0.451231D+01 -0.106542D+01  0.967381D+00  0.298799D+00  0.126992D+01
      5   0.566729D+01 -0.454627D+01 -0.220575D+00  0.648604D+01 -0.445680D+00
      6  -0.123328D+01  0.277361D+00  0.751769D-01  0.193685D+00 -0.118079D+01
                86            87            88            89            90 
      1  -0.365929D+01  0.442031D+00 -0.668596D+01  0.159582D+00 -0.131731D+02
      2   0.237084D+00  0.793215D+00  0.563975D+01  0.573930D+00 -0.148778D+02
      3   0.342221D+01 -0.123525D+01  0.104621D+01 -0.733512D+00  0.280509D+02
      4   0.165707D+01 -0.432891D+01  0.118494D+00 -0.492234D+01  0.123232D+01
      5  -0.436261D+01  0.223201D+01  0.675416D+01  0.153078D+01 -0.298843D+02
      6  -0.145197D+00  0.741539D+01 -0.115368D+00  0.405483D+01  0.127645D+01
                91            92            93            94            95 
      1   0.212332D+00 -0.386759D+00  0.204767D+01 -0.506502D+00 -0.205659D+01
      2  -0.279926D+01  0.718754D+00 -0.512611D+00  0.623484D+00 -0.100759D+01
      3   0.258693D+01 -0.331995D+00 -0.153506D+01 -0.116982D+00  0.306418D+01
      4  -0.132556D+00  0.212064D+01  0.152268D+01  0.276673D+01  0.144779D+00
      5   0.168920D+01  0.131403D+00  0.532852D+01 -0.190303D+00  0.132291D+01
      6   0.172774D+01 -0.184671D+00 -0.635919D+00  0.270181D+00  0.140743D+01
                96            97            98            99           100 
      1  -0.565408D+00  0.226697D+01 -0.208165D+01 -0.153430D+02  0.236573D+02
      2   0.224998D+01 -0.171807D+01  0.302460D+01 -0.147280D+02 -0.943741D+01
      3  -0.168458D+01 -0.548897D+00 -0.942956D+00  0.300710D+02 -0.142199D+02
      4   0.162911D+01  0.244205D+01  0.276171D+01  0.191825D+00  0.206561D+02
      5  -0.742160D+00  0.450070D+01  0.296241D+00  0.112254D+02 -0.362109D+01
      6   0.595379D+01  0.525048D+00  0.386167D+01  0.131326D+02 -0.252574D+01
               101           102           103           104           105 
      1  -0.503541D+01 -0.198747D+01 -0.750896D+00  0.170172D+02  0.396168D+01
      2   0.130801D+02  0.300069D+01  0.550727D+01 -0.184983D+02 -0.401426D+01
      3  -0.804472D+01 -0.101322D+01 -0.475637D+01  0.148112D+01  0.525776D-01
      4   0.217272D+02 -0.174683D+01  0.168013D+02 -0.175621D+01 -0.265606D+01
      5  -0.264409D+00  0.870499D+01 -0.546118D+00 -0.420998D+01  0.144031D+01
      6   0.340926D-01  0.330833D+01  0.125206D+00 -0.582338D+01  0.499059D+01
               106           107           108           109           110 
      1  -0.525642D+01  0.509479D+01  0.400682D+00 -0.101023D+02 -0.102422D+02
      2   0.205138D+01 -0.865339D+01 -0.313273D+01  0.806670D+01  0.448199D+01
      3   0.320504D+01  0.355860D+01  0.273205D+01  0.203563D+01  0.576017D+01
      4  -0.614957D+01 -0.778798D+01  0.405527D+01 -0.121363D+02  0.137369D+01
      5   0.810694D+01  0.247600D+01 -0.215482D+01  0.115874D+02 -0.240416D+01
      6   0.506589D+01  0.491616D+01 -0.311127D+01 -0.660695D+01  0.401327D+01
               111           112           113           114           115 
      1   0.261885D+01 -0.248588D+02  0.109794D+02  0.210877D+01  0.185886D+02
      2  -0.472962D+01  0.190299D+02 -0.279894D+02 -0.610210D+01 -0.833144D+01
      3   0.211077D+01  0.582895D+01  0.170100D+02  0.399333D+01 -0.102572D+02
      4  -0.497712D+01 -0.584740D+01  0.320756D+02  0.521095D+01 -0.158955D+01
      5  -0.116196D+01  0.156647D+01  0.525287D+01 -0.425117D+01 -0.189839D+01
      6  -0.393187D+01  0.404330D+00 -0.343582D+01  0.843386D-01  0.717013D+00
               116           117           118           119           120 
      1   0.166390D+01  0.138017D+02  0.233257D+01 -0.169932D+01 -0.195476D+01
      2  -0.458515D+01  0.682366D+01 -0.373580D+01  0.977493D+00  0.156449D+01
      3   0.292125D+01 -0.206253D+02  0.140323D+01  0.721828D+00  0.390273D+00
      4   0.737858D+01  0.446746D+01 -0.224103D+01  0.241999D+01  0.105301D+01
      5   0.407434D+01 -0.372349D+02 -0.287994D+01 -0.105051D+00  0.766520D+01
      6  -0.206821D+01  0.165236D+02  0.112603D+01  0.636325D-01 -0.687660D+00
               121           122           123           124           125 
      1  -0.134261D+01 -0.366912D+01 -0.676857D+00 -0.460973D+01 -0.115689D+01
      2   0.399800D+00  0.973624D+00  0.140032D+01  0.591878D+01  0.774342D+00
      3   0.942808D+00  0.269550D+01 -0.723460D+00 -0.130904D+01  0.382551D+00
      4   0.285228D+01  0.467328D+00 -0.197971D+01  0.305412D+01 -0.251255D+01
      5  -0.643678D-02 -0.281993D+01  0.635804D+00  0.644310D+01 -0.117578D+01
      6  -0.549629D+00  0.155404D+01  0.678128D+01 -0.123135D+01  0.458982D+01
               126           127           128           129           130 
      1  -0.154015D+02  0.170023D+02  0.144222D+01  0.524019D+00  0.566066D+01
      2  -0.129465D+02 -0.424386D+00  0.986375D+01  0.498814D+00  0.607534D+01
      3   0.283480D+02 -0.165779D+02 -0.113060D+02 -0.102283D+01 -0.117360D+02
      4  -0.133973D+01  0.240354D+02  0.277014D+02 -0.918438D-01  0.267572D+02
      5  -0.203546D+02 -0.170108D+01 -0.577542D+00  0.771172D+01  0.385318D+00
      6   0.101645D+02 -0.542654D-01 -0.893594D+00  0.380377D+01  0.115024D+01
               131           132           133           134           135 
      1  -0.630908D+01 -0.146583D+01 -0.744247D+00 -0.446056D+01  0.636980D+01
      2   0.265405D+02  0.234017D+01  0.144419D+01  0.414678D+01 -0.281459D+01
      3  -0.202314D+02 -0.874348D+00 -0.699942D+00  0.313786D+00 -0.355520D+01
      4   0.296229D+02  0.232125D+01  0.463136D+01  0.714101D+01 -0.321693D+01
      5   0.175918D+01 -0.121007D+01  0.370113D+01 -0.360079D+01  0.208468D+02
      6   0.203685D+01  0.277546D+01 -0.229358D-01 -0.215782D+01  0.254904D+02
               136           137           138           139           140 
      1   0.108560D+00  0.549636D+00  0.334711D+01 -0.320232D+00 -0.313870D+01
      2  -0.267255D+01 -0.269560D-01 -0.149528D+01  0.116561D+01  0.129401D+01
      3   0.256399D+01 -0.522680D+00 -0.185183D+01 -0.845382D+00  0.184469D+01
      4   0.134959D+01  0.400954D+01  0.301743D+01  0.403198D+01  0.158976D+01
      5   0.376920D+01  0.720161D+00  0.734299D+01 -0.350572D+00  0.248146D+01
      6   0.342022D+01 -0.156649D+00  0.699422D+00  0.793066D-01  0.338024D+01
               141           142           143           144           145 
      1  -0.180906D+01  0.249737D+01 -0.403414D+01 -0.167120D+02  0.107781D+02
      2   0.336684D+01 -0.319607D+01  0.234776D+01 -0.131161D+02  0.593587D+01
      3  -0.155778D+01  0.698701D+00  0.168637D+01  0.298281D+02 -0.167140D+02
      4   0.199434D+01  0.552416D+01  0.530834D+01  0.293409D+01 -0.332726D+02
      5  -0.375597D+00  0.731611D+01  0.334310D+01  0.227483D+02  0.510580D-01
      6   0.690639D+01  0.288525D+01  0.743096D+01  0.230077D+02 -0.325886D+01
               146           147           148           149           150 
      1   0.429052D+00  0.193018D+01 -0.667269D+00 -0.247840D+01  0.198970D+00
      2  -0.136729D+02  0.330066D+00 -0.715300D+01  0.121080D+02 -0.144982D+01
      3   0.132438D+02 -0.226025D+01  0.782027D+01 -0.962964D+01  0.125085D+01
      4   0.244627D+02 -0.293505D+01  0.160385D+02 -0.139062D+02  0.164176D+01
      5   0.358983D+00  0.313539D+01  0.221664D+00  0.523148D+00 -0.199779D+01
      6   0.641772D+00 -0.536756D+01  0.104565D+01 -0.115399D+01  0.321191D+01
               151           152           153           154           155 
      1   0.161913D+01  0.115344D+01 -0.316513D+00  0.481085D+02  0.152620D+02
      2   0.139957D+01 -0.395165D+01  0.932934D+00 -0.264031D+02 -0.866349D+01
      3  -0.301870D+01  0.279821D+01 -0.616421D+00 -0.217054D+02 -0.659849D+01
      4  -0.681624D+01  0.494096D+01 -0.493784D+01  0.122888D+02  0.124990D+02
      5   0.408978D+01 -0.253618D+01  0.947653D+00  0.804791D+00 -0.127690D-01
      6  -0.458415D+01  0.495943D+01 -0.848682D+00  0.119617D+01  0.103534D+01
               156           157           158           159           160 
      1  -0.771082D+00  0.320170D+02  0.122512D+02  0.397360D+00 -0.591286D+01
      2  -0.186881D+00 -0.182636D+02 -0.543484D+01 -0.719680D+00  0.337306D+01
      3   0.957963D+00 -0.137534D+02 -0.681636D+01  0.322320D+00  0.253981D+01
      4  -0.311109D+00  0.135032D+02  0.138978D+02 -0.108843D+01 -0.109395D+01
      5   0.641256D+01  0.134248D+01 -0.116384D+01  0.415347D+01  0.786815D+01
      6   0.632028D-01  0.128646D+01  0.919449D+00  0.282853D+00  0.676944D+00
               161           162           163           164           165 
      1  -0.140459D+01  0.456244D+01 -0.135690D+01  0.581140D+01  0.676054D+00
      2   0.621998D+00 -0.405315D+01  0.277913D+01 -0.671186D+01 -0.697926D+00
      3   0.782589D+00 -0.509293D+00 -0.142223D+01  0.900462D+00  0.218715D-01
      4  -0.208012D+01  0.198023D+01 -0.524179D+00  0.540776D+00  0.539367D+00
      5   0.225241D+01  0.424086D+00  0.494449D+00 -0.285322D+00 -0.131438D+00
      6   0.134778D+01 -0.435253D+00  0.110498D+01 -0.352863D+00  0.303848D-01
               166           167           168           169           170 
      1   0.467355D+01 -0.268886D+02 -0.182550D+01  0.123930D+01 -0.441142D+01
      2  -0.515487D+00  0.444810D+02  0.315518D+01 -0.762870D+00  0.618794D+01
      3  -0.415807D+01 -0.175924D+02 -0.132969D+01 -0.476426D+00 -0.177652D+01
      4   0.758604D+01  0.245663D+02  0.143350D+01  0.126472D+01  0.379035D+01
      5  -0.205003D+00  0.253974D+01  0.310300D+01  0.137283D+01  0.273488D+01
      6  -0.157625D+00  0.339862D+01  0.522342D+01  0.774722D+00  0.688513D+01
               171           172           173           174           175 
      1  -0.377023D+01  0.720865D+02  0.221075D+01 -0.591982D+01  0.148514D+01
      2   0.370584D+01 -0.418239D+02 -0.546445D+00  0.676071D+01 -0.248678D+01
      3   0.643935D-01 -0.302626D+02 -0.166430D+01 -0.840891D+00  0.100164D+01
      4   0.260770D+01 -0.472042D+01  0.131890D+02  0.235667D+01  0.192050D+02
      5   0.203459D+00 -0.120087D+02  0.106951D+01  0.130796D+02  0.575318D+00
      6   0.128329D+01  0.313834D+01 -0.195795D+01  0.138174D+01 -0.121139D+01
               176           177           178           179           180 
      1   0.114998D+02  0.253821D+01 -0.198413D+02 -0.484744D+00  0.826429D+01
      2  -0.220201D+01  0.668108D+00  0.123251D+02 -0.410639D+00 -0.112036D+02
      3  -0.929777D+01 -0.320632D+01  0.751617D+01  0.895383D+00  0.293927D+01
      4  -0.276442D+02 -0.388794D+01  0.118249D+01 -0.501773D+01 -0.162455D+01
      5  -0.418276D+01 -0.325748D+01  0.195453D+02  0.344538D+00 -0.759312D+01
      6   0.149840D+01  0.679714D+01 -0.237893D+01  0.353199D+01  0.486832D-01
               181           182           183           184           185 
      1   0.311020D+01 -0.620367D+01 -0.272937D+01 -0.550662D+01 -0.180269D+02
      2   0.282206D+01  0.148590D+01  0.867489D+00 -0.421475D+01  0.429972D+02
      3  -0.593226D+01  0.471776D+01  0.186188D+01  0.972137D+01 -0.249703D+02
      4  -0.842980D+01  0.102605D+02  0.149318D+01  0.185480D+02 -0.477247D+02
      5  -0.251315D+01  0.421394D+00  0.235795D+01  0.274484D+00 -0.297482D+01
      6   0.161056D+01 -0.455139D+00 -0.813707D+00  0.212110D+00  0.177315D+01
               186           187           188           189           190 
      1  -0.155219D+01 -0.466438D+01 -0.279880D+01 -0.342747D+01  0.113278D+01
      2   0.386226D+01  0.117782D+01  0.609004D+01  0.309547D+01 -0.407676D+01
      3  -0.231008D+01  0.348656D+01 -0.329124D+01  0.332002D+00  0.294398D+01
      4  -0.343061D+01  0.405185D+01 -0.782684D+01 -0.643991D+01  0.603176D+00
      5  -0.527309D+01  0.354347D+01 -0.648294D+01  0.823464D+00  0.653232D+01
      6   0.614380D+01 -0.207896D+01  0.760848D+01  0.162374D+01 -0.209520D+01
               191           192           193           194           195 
      1   0.111817D+01  0.767143D+01  0.501474D+01 -0.417591D+01  0.103798D+01
      2  -0.107248D+01 -0.382531D+01 -0.378422D+01  0.308716D+01 -0.257515D+01
      3  -0.456898D-01 -0.384612D+01 -0.123053D+01  0.108876D+01  0.153717D+01
      4   0.148142D+01 -0.220734D+01  0.138793D+01 -0.431699D+01  0.456027D+01
      5  -0.673875D+00  0.590519D+01 -0.446459D-01  0.490617D+01  0.210219D+01
      6  -0.633243D+00  0.491921D+00  0.560009D+00 -0.193904D+01  0.455936D+01
               196           197           198           199           200 
      1   0.916650D+01  0.326183D+01 -0.187226D+02  0.182812D+01  0.280230D+01
      2  -0.701428D+01 -0.183839D+01 -0.135330D+02 -0.138591D+01 -0.163967D+01
      3  -0.215223D+01 -0.142344D+01  0.322556D+02 -0.442216D+00 -0.116263D+01
      4  -0.432633D+01  0.635435D+01 -0.617694D+01  0.267560D+01  0.181921D+01
      5   0.974323D+01 -0.611237D+01  0.446685D+02 -0.213654D+01 -0.668801D+00
      6  -0.259323D+01  0.762206D+01 -0.198790D+02 -0.226401D+01  0.995981D+00
               201           202           203           204           205 
      1  -0.369968D+01  0.635674D+00 -0.531469D+01  0.285277D+01 -0.412253D+01
      2   0.180295D+01  0.103004D+01  0.791898D+01 -0.476829D+01  0.120765D+01
      3   0.189673D+01 -0.166571D+01 -0.260429D+01  0.191553D+01  0.291487D+01
      4  -0.216654D+01  0.309394D+01  0.560027D+01 -0.370986D+01 -0.955442D+01
      5   0.765853D+00 -0.102267D+01 -0.339492D+01  0.461123D+01  0.653080D+01
      6  -0.196346D+01 -0.141407D+01 -0.598927D+01  0.778088D+01  0.573270D+01
               206           207           208           209           210 
      1   0.750160D+01 -0.110391D+02  0.189248D+01  0.690031D+01  0.916739D+00
      2  -0.862408D+01  0.246880D+01  0.306594D+00 -0.302116D+01 -0.312324D+00
      3   0.112248D+01  0.857033D+01 -0.219907D+01 -0.387914D+01 -0.604415D+00
      4  -0.122457D+02  0.107942D+02  0.701037D+01 -0.941176D-01 -0.279456D+00
      5   0.104582D+02 -0.244865D+02  0.694631D+00 -0.555261D+00  0.121789D+01
      6   0.152996D+02 -0.300143D+02 -0.144449D+00 -0.720039D-01  0.125566D+01
               211           212           213           214           215 
      1   0.247214D+02 -0.169132D+01 -0.205669D+01  0.204906D+01 -0.479581D+00
      2  -0.143725D+02  0.189518D+01  0.177812D+01 -0.107992D+01  0.445941D+00
      3  -0.103489D+02 -0.203862D+00  0.278570D+00 -0.969134D+00  0.336400D-01
      4  -0.984555D+00  0.350143D+02 -0.331254D+00 -0.494031D+00  0.121962D+01
      5  -0.246407D+01  0.145504D+00  0.761151D+01  0.431204D+01  0.282442D+01
      6   0.581369D+00 -0.104647D+01 -0.123171D+01  0.355019D+00  0.219586D+01
               216 
      1   0.124616D+01
      2  -0.213898D+01
      3   0.892821D+00
      4   0.230441D+01
      5  -0.233007D+01
      6   0.739258D-01
 Leave Link  716 at Thu Aug 12 20:58:28 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113857D+03  0.114445D+01 -0.352251D+00
      2   0.114445D+01  0.102129D+03 -0.176642D+01
      3  -0.352251D+00 -0.176642D+01  0.850614D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.205029D+01 -0.471566D+01  0.679459D+01
      2  -0.380008D+01  0.205576D+00  0.427867D+01
      3  -0.629274D+01 -0.109133D+02  0.134172D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.274655D+02 -0.125608D+02 -0.179345D+02
      2  -0.229441D+02  0.146564D+02  0.120322D+02
      3  -0.452141D+01 -0.209564D+01  0.590225D+01
      4  -0.200519D+02 -0.885968D+01 -0.788950D+00
      5  -0.813698D+01 -0.232040D+01  0.663665D+01
      6  -0.269555D-01  0.140264D+02 -0.126899D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.281635D+01  0.194728D+01 -0.632248D+00  0.130600D+01  0.210576D+01
      2   0.194728D+01  0.197983D+01  0.159711D+00  0.210576D+01 -0.357509D+01
      3  -0.632248D+00  0.159711D+00 -0.467566D+00  0.276395D+00 -0.105404D+01
                 6             7             8             9            10 
      1   0.276395D+00 -0.108530D+01  0.504986D+00 -0.504343D+00  0.307989D+01
      2  -0.105404D+01  0.504986D+00 -0.206883D+01 -0.576901D+00 -0.167347D+01
      3   0.494282D+00 -0.504343D+00 -0.576901D+00  0.820262D+01  0.974802D+00
                11            12            13            14            15 
      1  -0.167347D+01  0.974802D+00 -0.248602D+01 -0.199315D+01 -0.542940D+00
      2  -0.127643D+01 -0.267405D+00 -0.199315D+01  0.177150D+01  0.657064D+00
      3  -0.267405D+00 -0.924517D+00 -0.542940D+00  0.657064D+00  0.121266D+01
                16            17            18            19            20 
      1   0.191915D+01 -0.739861D+00  0.280145D+00  0.138801D+01 -0.211051D+01
      2  -0.739861D+00  0.939224D+00  0.487896D+00 -0.211051D+01 -0.184974D+01
      3   0.280145D+00  0.487896D+00 -0.858884D+01  0.795279D+00  0.176160D+00
                21            22            23            24            25 
      1   0.795279D+00 -0.341329D+01 -0.283013D+01  0.130078D+00  0.179308D+01
      2   0.176160D+00 -0.283013D+01  0.244462D+01  0.732315D+00  0.314702D+00
      3   0.713640D+00  0.130078D+00  0.732315D+00  0.112265D+01  0.856628D-01
                26            27            28            29            30 
      1   0.314702D+00  0.856628D-01  0.421551D+00  0.342238D+01 -0.999947D+00
      2   0.170058D+01  0.590985D+00  0.342238D+01  0.156076D+01 -0.298404D-01
      3   0.590985D+00 -0.781252D+01 -0.999947D+00 -0.298404D-01 -0.886828D+00
                31            32            33            34            35 
      1   0.365796D+01  0.279493D+01  0.247439D-01 -0.133174D+01  0.195477D+00
      2   0.279493D+01 -0.337462D+01 -0.823539D+00  0.195477D+00 -0.163123D+01
      3   0.247439D-01 -0.823539D+00 -0.642729D+00 -0.406501D+00  0.229612D-01
                36            37            38            39            40 
      1  -0.406501D+00  0.200136D+01 -0.298703D+01  0.569545D+00 -0.428489D+01
      2   0.229612D-01 -0.298703D+01 -0.372155D+00 -0.482793D+00 -0.915998D+00
      3   0.836044D+01  0.569545D+00 -0.482793D+00 -0.160086D-01 -0.887852D-01
                41            42            43            44            45 
      1  -0.915998D+00 -0.887852D-01  0.289155D+01  0.189980D+00  0.244729D+00
      2  -0.322017D+01  0.959797D+00  0.189980D+00  0.127799D+01 -0.694632D+00
      3   0.959797D+00  0.564524D+00  0.244729D+00 -0.694632D+00 -0.127281D+01
                46            47            48            49            50 
      1  -0.413145D+01  0.546348D+00 -0.188177D+00  0.317998D+01  0.189332D+01
      2   0.546348D+00  0.178867D+01  0.900648D+00  0.189332D+01 -0.160234D+01
      3  -0.188177D+00  0.900648D+00 -0.374466D+00  0.124513D+00 -0.553800D+00
                51            52            53            54            55 
      1   0.124513D+00 -0.151972D+01  0.368588D+00 -0.810410D-01  0.455702D+01
      2  -0.553800D+00  0.368588D+00 -0.134089D+01 -0.160446D+00 -0.104262D+01
      3  -0.205045D+01 -0.810410D-01 -0.160446D+00  0.861167D+01  0.129890D+01
                56            57            58            59            60 
      1  -0.104262D+01  0.129890D+01 -0.365589D+00  0.919291D-02 -0.265378D+00
      2   0.190441D+01 -0.153851D+00  0.919291D-02  0.766139D+01  0.133905D+01
      3  -0.153851D+00  0.780149D+00 -0.265378D+00  0.133905D+01 -0.210477D+00
                61            62            63            64            65 
      1   0.201440D+01 -0.101075D+01  0.125871D+00  0.466850D+00 -0.336745D+00
      2  -0.101075D+01  0.332838D+01  0.153907D+01 -0.336745D+00 -0.350007D+00
      3   0.125871D+00  0.153907D+01  0.306430D+00 -0.922625D+00 -0.138907D-01
                66            67            68            69            70 
      1  -0.922625D+00 -0.162468D+00 -0.340167D+00  0.457867D-02 -0.170087D+01
      2  -0.138907D-01 -0.340167D+00  0.779406D+00 -0.108642D+01  0.119195D+00
      3   0.159536D+00  0.457867D-02 -0.108642D+01  0.373452D+00  0.147551D-01
                71            72            73            74            75 
      1   0.119195D+00  0.147551D-01 -0.358754D+01  0.340345D+01 -0.105518D+01
      2  -0.188438D+01  0.830651D+00  0.340345D+01  0.874160D+00 -0.924069D-01
      3   0.830651D+00 -0.762231D+01 -0.105518D+01 -0.924069D-01  0.856212D+00
                76            77            78            79            80 
      1   0.665679D+01 -0.309192D+00  0.358946D+00 -0.313050D+01  0.242947D+00
      2  -0.309192D+00  0.346039D+01 -0.909362D+00  0.242947D+00 -0.111512D+01
      3   0.358946D+00 -0.909362D+00  0.525756D+00 -0.128792D+01  0.529287D+00
                81            82            83            84            85 
      1  -0.128792D+01 -0.698104D+00  0.350848D+00  0.107081D+01  0.272201D+00
      2   0.529287D+00  0.350848D+00  0.252778D+00  0.393866D-01  0.265291D+00
      3  -0.262438D+00  0.107081D+01  0.393866D-01 -0.295577D+00  0.706148D-01
                86            87            88            89            90 
      1   0.265291D+00  0.706148D-01  0.201114D+01  0.119052D+00 -0.740886D+00
      2  -0.469299D+00  0.105817D+01  0.119052D+00  0.158033D+01 -0.282895D+00
      3   0.105817D+01 -0.579107D+00 -0.740886D+00 -0.282895D+00  0.784192D+01
                91            92            93            94            95 
      1  -0.256323D+00  0.206550D+00  0.101686D+01  0.323653D+00  0.470551D+00
      2   0.206550D+00  0.446008D+00  0.530293D-01  0.470551D+00 -0.384198D+00
      3   0.101686D+01  0.530293D-01 -0.716645D-01  0.741828D-01  0.907472D+00
                96            97            98            99           100 
      1   0.741828D-01  0.185649D+01 -0.208606D-01  0.315762D+00  0.603335D+01
      2   0.907472D+00 -0.208606D-01  0.168559D+01  0.152246D+00  0.195366D+01
      3  -0.254551D+00  0.315762D+00  0.152246D+00  0.747583D+01 -0.822137D+00
               101           102           103           104           105 
      1   0.195366D+01 -0.822137D+00  0.773976D+00  0.302422D+01  0.161030D+00
      2   0.360487D+01  0.157200D+00  0.302422D+01 -0.328836D+01 -0.980681D+00
      3   0.157200D+00 -0.829405D-01  0.161030D+00 -0.980681D+00 -0.767672D+00
               106           107           108           109           110 
      1  -0.188484D+01 -0.482953D+00  0.110532D+01  0.106425D+01 -0.292886D+01
      2  -0.482953D+00 -0.220651D+01  0.458886D+00 -0.292886D+01  0.646435D+00
      3   0.110532D+01  0.458886D+00 -0.140530D+00  0.169369D+01 -0.406267D+00
               111           112           113           114           115 
      1   0.169369D+01 -0.281032D+01 -0.180144D+01  0.453819D-01  0.293826D+01
      2  -0.406267D+00 -0.180144D+01  0.683529D+01  0.126969D+01  0.425420D-01
      3   0.113988D+01  0.453819D-01  0.126969D+01 -0.324395D+00 -0.196560D+00
               116           117           118           119           120 
      1   0.425420D-01 -0.196560D+00  0.839415D+00 -0.596940D+00 -0.105655D+01
      2   0.138630D+01  0.765097D+00 -0.596940D+00 -0.835831D-01 -0.246901D-01
      3   0.765097D+00 -0.793173D+01 -0.105655D+01 -0.246901D-01  0.667614D+00
               121           122           123           124           125 
      1  -0.681970D+00 -0.109112D+00 -0.690022D-01 -0.241638D+01 -0.111854D+00
      2  -0.109112D+00  0.223664D+00 -0.975474D+00 -0.111854D+00 -0.134027D+01
      3  -0.690022D-01 -0.975474D+00 -0.996735D-01  0.910479D+00 -0.485027D+00
               126           127           128           129           130 
      1   0.910479D+00 -0.414683D+01 -0.251308D+01  0.773583D-01 -0.284533D+01
      2  -0.485027D+00 -0.251308D+01 -0.279443D+01 -0.799043D-01 -0.282810D+01
      3  -0.765349D+01  0.773583D-01 -0.799043D-01  0.501477D-01 -0.439577D+00
               131           132           133           134           135 
      1  -0.282810D+01 -0.439577D+00 -0.757176D+00 -0.958078D+00  0.165480D+00
      2  -0.527336D+01 -0.595285D+00 -0.958078D+00 -0.198434D+01  0.117247D+01
      3  -0.595285D+00  0.132445D+01  0.165480D+00  0.117247D+01 -0.556786D+01
               136           137           138           139           140 
      1   0.373569D-02 -0.365124D+00 -0.119593D+01 -0.480670D+00 -0.577448D+00
      2  -0.365124D+00 -0.428199D+00 -0.892515D-01 -0.577448D+00 -0.332324D+00
      3  -0.119593D+01 -0.892515D-01 -0.233017D+00  0.981041D-01 -0.953742D+00
               141           142           143           144           145 
      1   0.981041D-01 -0.224672D+01 -0.378825D+00 -0.958705D+00 -0.592439D+01
      2  -0.953742D+00 -0.378825D+00 -0.151602D+01 -0.117754D+01  0.330382D+01
      3  -0.147116D+00 -0.958705D+00 -0.117754D+01 -0.812460D+01 -0.525841D+00
               146           147           148           149           150 
      1   0.330382D+01 -0.525841D+00  0.232402D+01 -0.191747D+01  0.153702D+00
      2  -0.383004D+01  0.458646D-01 -0.191747D+01  0.272408D+01 -0.263872D+00
      3   0.458646D-01 -0.106091D+01  0.153702D+00 -0.263872D+00  0.711213D+00
               151           152           153           154           155 
      1  -0.123780D+01  0.628676D+00 -0.794492D+00 -0.700405D+01 -0.211969D+01
      2   0.628676D+00 -0.102191D+01  0.756733D+00 -0.211969D+01 -0.212364D+01
      3  -0.794492D+00  0.756733D+00 -0.118601D+00 -0.195045D-01  0.506755D-01
               156           157           158           159           160 
      1  -0.195045D-01 -0.475979D+01 -0.191273D+01 -0.197107D+00  0.853343D+00
      2   0.506755D-01 -0.191273D+01 -0.248632D+01  0.219065D+00  0.163659D+00
      3  -0.104144D+01 -0.197107D+00  0.219065D+00 -0.622201D+00 -0.980854D+00
               161           162           163           164           165 
      1   0.163659D+00 -0.980854D+00 -0.469509D+00  0.691005D+00  0.218274D+00
      2   0.389248D+00 -0.254325D+00  0.691005D+00 -0.105180D+01 -0.329816D-01
      3  -0.254325D+00 -0.958139D-01  0.218274D+00 -0.329816D-01  0.840460D-01
               166           167           168           169           170 
      1   0.234815D+01  0.641533D+00 -0.116765D+00  0.566168D+00 -0.123567D-01
      2   0.641533D+00  0.874941D+01  0.512536D+00 -0.123567D-01  0.129898D+01
      3  -0.116765D+00  0.512536D+00  0.113048D+01  0.212995D+00  0.993544D+00
               171           172           173           174           175 
      1   0.212995D+00  0.863096D+01  0.727458D+00 -0.147013D+01 -0.197727D+00
      2   0.993544D+00  0.727458D+00  0.827100D+00  0.194782D+00  0.259801D+01
      3   0.131391D+00 -0.147013D+01  0.194782D+00  0.989321D-01  0.249817D+00
               176           177           178           179           180 
      1   0.259801D+01  0.249817D+00 -0.289283D+01 -0.176550D+00  0.178789D+01
      2  -0.470172D+01 -0.560898D+00 -0.176550D+00 -0.613011D+00  0.509853D-01
      3  -0.560898D+00 -0.100215D+01  0.178789D+01  0.509853D-01 -0.625229D+00
               181           182           183           184           185 
      1   0.707948D+00 -0.107729D+01 -0.526609D+00 -0.231143D+01  0.232916D+01
      2  -0.107729D+01  0.558234D+00  0.862066D-01  0.232916D+01 -0.937235D+01
      3  -0.526609D+00  0.862066D-01  0.263769D+00  0.843301D-01 -0.736726D+00
               186           187           188           189           190 
      1   0.843301D-01 -0.115235D+01  0.379871D+00  0.468258D+00  0.900168D-01
      2  -0.736726D+00  0.379871D+00 -0.156701D+01 -0.125243D+01  0.258162D+00
      3  -0.977272D+00  0.468258D+00 -0.125243D+01  0.125026D+00  0.114397D+01
               191           192           193           194           195 
      1   0.258162D+00  0.114397D+01  0.834287D+00  0.231496D+00 -0.201929D-01
      2   0.231409D-01  0.348334D-01  0.231496D+00 -0.783720D+00  0.975433D+00
      3   0.348334D-01 -0.844201D-01 -0.201929D-01  0.975433D+00  0.404929D+00
               196           197           198           199           200 
      1   0.213020D+01 -0.260561D+00  0.933262D+00 -0.607565D+00 -0.283809D+00
      2  -0.260561D+00  0.139129D+01 -0.112217D+01 -0.283809D+00  0.395323D-01
      3   0.933262D+00 -0.112217D+01  0.881848D+01  0.444735D+00 -0.140768D+00
               201           202           203           204           205 
      1   0.444735D+00 -0.382993D+00 -0.343174D+00  0.214337D+00  0.206764D+01
      2  -0.140768D+00 -0.343174D+00 -0.159587D+01  0.952891D+00  0.105043D+01
      3   0.297030D+00  0.214337D+00  0.952891D+00 -0.122386D+01 -0.123159D+01
               206           207           208           209           210 
      1   0.105043D+01 -0.123159D+01  0.357750D+00  0.122418D+01  0.110657D+00
      2   0.300001D+01 -0.270816D+01  0.122418D+01 -0.345903D+00 -0.844488D-01
      3  -0.270816D+01  0.625710D+01  0.110657D+00 -0.844488D-01  0.428398D+00
               211           212           213           214           215 
      1   0.350546D+01 -0.485350D+00 -0.331006D+00  0.314816D+00 -0.167449D+00
      2  -0.485350D+00  0.580998D+01 -0.896413D-01 -0.167449D+00  0.311620D+00
      3  -0.331006D+00 -0.896413D-01  0.103726D+01  0.532283D+00  0.363720D+00
               216 
      1   0.532283D+00
      2   0.363720D+00
      3  -0.314141D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100193D+01  0.162979D+00 -0.482031D+00 -0.131013D+01  0.201419D+01
      2   0.903264D+00  0.270794D-01  0.143441D+01  0.722410D+00  0.159424D+01
      3  -0.144853D+01  0.136394D+00 -0.688051D+00  0.537595D+01 -0.109059D+01
                 6             7             8             9            10 
      1   0.616878D+00  0.712508D+00  0.387688D+01 -0.843507D+01 -0.622463D+00
      2   0.266462D+00 -0.286672D+01 -0.104296D+00 -0.515842D+01 -0.217689D+01
      3  -0.200675D+00 -0.602494D+00 -0.155226D+01 -0.108214D+01 -0.229912D+01
                11            12            13            14            15 
      1  -0.195756D+01 -0.741891D+00 -0.378282D+00 -0.181889D+01 -0.160680D+01
      2  -0.351031D+00  0.441500D+00  0.449612D+00 -0.121485D+01 -0.183240D+01
      3  -0.458848D+01 -0.165615D+00  0.131699D+01  0.219766D+01  0.220939D+01
                16            17            18            19            20 
      1  -0.115929D+01  0.219307D+01 -0.626839D+00 -0.166582D+01 -0.154134D-01
      2  -0.362391D+01 -0.104401D+01  0.120864D+02 -0.189607D+00  0.102129D+01
      3  -0.682111D+00  0.155335D+01  0.970150D+00  0.246586D+01 -0.395177D+01
                21            22            23            24            25 
      1   0.530665D+00 -0.110823D+01 -0.145575D+01 -0.833213D+00  0.475642D+00
      2   0.133387D+00  0.574923D+00  0.808375D+00 -0.217797D+00 -0.440432D+01
      3   0.132718D+00  0.219600D+01 -0.404225D+01 -0.135542D+01  0.168517D+01
                26            27            28            29            30 
      1   0.217188D+01  0.543788D+01 -0.157032D+01  0.329974D+00  0.114830D+01
      2   0.394805D+00 -0.457662D+01 -0.112768D+01  0.990397D+00 -0.226649D+01
      3  -0.828726D+00 -0.363825D+00 -0.619953D+01 -0.824783D+01  0.344860D+00
                31            32            33            34            35 
      1  -0.761691D+00  0.896019D-01 -0.332690D+00 -0.239609D+00  0.344714D+01
      2  -0.637623D+00 -0.804172D+00 -0.283208D+01 -0.538010D+01  0.791775D+00
      3  -0.451118D+01  0.559662D+01  0.182674D+01  0.794799D+00  0.910450D+00
                36            37            38            39            40 
      1   0.422785D+01  0.194019D+01 -0.269935D-01 -0.125874D+01  0.472376D+00
      2   0.138299D+02  0.302269D+00  0.116608D+00  0.102556D+02 -0.273425D+00
      3   0.402334D+00 -0.375839D+01 -0.138827D+01 -0.145269D+01  0.181777D+02
                41            42            43            44            45 
      1   0.904560D+00 -0.440865D+01  0.204877D+01  0.219912D+01 -0.252304D+00
      2  -0.813106D-01  0.554998D+00 -0.657717D+01 -0.156507D+01  0.115635D+01
      3   0.194806D+01 -0.445878D-01 -0.464097D+01 -0.509382D+00 -0.303003D+00
                46            47            48            49            50 
      1  -0.247001D+00  0.234607D+00 -0.517851D+00 -0.844354D+00  0.179602D+00
      2   0.114769D+01  0.336853D+00 -0.413097D+01 -0.273443D+00  0.188165D+01
      3   0.741734D+01  0.394520D+01  0.592033D+00 -0.100227D+01 -0.130457D+01
                51            52            53            54            55 
      1  -0.120440D+01 -0.225036D+01  0.297061D+01  0.957369D+01 -0.416900D+01
      2   0.325244D+01 -0.397929D+01 -0.837868D+00 -0.142636D+02 -0.361799D+01
      3  -0.177619D+01  0.188872D+01 -0.203373D+01 -0.297871D+00  0.159161D+02
                56            57            58            59            60 
      1   0.164293D+01 -0.147243D+01  0.212923D+01 -0.385026D+01 -0.580768D+01
      2   0.275945D+01  0.995201D+00  0.799398D+00 -0.218582D+01 -0.369606D+00
      3  -0.518976D+01  0.269528D+01  0.386241D+01  0.913219D+01  0.196224D+00
                61            62            63            64            65 
      1  -0.118299D+01  0.113607D+01 -0.297233D+01  0.116441D+01 -0.689828D-01
      2  -0.442856D+01 -0.461949D-01 -0.107938D+01  0.999345D+00 -0.548388D+00
      3   0.606890D+01  0.161044D+01  0.175010D+01  0.407595D+00 -0.160090D+01
                66            67            68            69            70 
      1  -0.423397D+00 -0.126113D-01  0.154027D+01 -0.477824D+00 -0.274345D+00
      2   0.939921D+00 -0.342410D+00  0.501930D+00  0.135677D-01 -0.387785D+01
      3  -0.990450D+00  0.581746D+00  0.153512D+00 -0.655727D+00 -0.240413D+01
                71            72            73            74            75 
      1   0.361835D+01  0.907883D+01 -0.115713D+01 -0.225902D-01  0.144334D+01
      2  -0.392117D+00  0.515737D+01  0.538611D+01  0.140586D+01  0.421045D+01
      3  -0.110848D+01  0.834980D+00  0.112295D+02  0.313083D+00 -0.307174D+00
                76            77            78            79            80 
      1  -0.203250D+01 -0.559098D+00 -0.240901D+01  0.163824D+01  0.312415D+01
      2   0.115845D+01  0.273749D+01 -0.358397D+01 -0.118873D+01 -0.178000D+01
      3   0.766894D+01  0.170470D+02 -0.201331D+01 -0.231052D+00 -0.514830D+01
                81            82            83            84            85 
      1   0.386713D+00  0.115906D+00  0.276473D+00  0.651831D-02  0.682456D+00
      2   0.257674D+01 -0.216774D+01 -0.867749D-01  0.659989D+00  0.778832D-01
      3   0.933644D+00  0.656628D+00 -0.410461D+00  0.830111D-01  0.156507D+01
                86            87            88            89            90 
      1  -0.375355D+00 -0.160555D+01  0.398962D+00  0.409913D+01 -0.120402D+01
      2  -0.182785D+01  0.102801D+01 -0.328639D+01  0.315411D+00 -0.126247D+02
      3  -0.499320D+00  0.127969D+01  0.277018D+00  0.296145D+01 -0.624980D-01
                91            92            93            94            95 
      1  -0.954769D+00  0.205257D+00  0.520653D+00  0.167602D+00 -0.124812D+01
      2   0.146096D+01  0.322199D+00  0.236941D+00  0.646355D+00  0.241628D+00
      3  -0.318765D+00 -0.979189D+00  0.741007D+00  0.109521D+01  0.211715D+00
                96            97            98            99           100 
      1  -0.602578D+00 -0.470027D+00  0.411188D+01 -0.627803D+01  0.210161D+01
      2  -0.646105D+00 -0.448766D+01  0.371985D+00  0.474734D+01 -0.174826D+01
      3  -0.384020D+00  0.129176D+01 -0.116508D+01 -0.610865D-01  0.925023D+01
               101           102           103           104           105 
      1  -0.845921D-01 -0.196490D+01  0.950302D+00  0.462428D+01 -0.220595D+01
      2  -0.798726D+00  0.504581D+01  0.273492D+00 -0.171463D+01  0.103682D+01
      3  -0.108052D+02 -0.130837D+01 -0.182274D+01  0.145947D+02  0.241676D+01
               106           107           108           109           110 
      1  -0.159221D+01  0.371626D+01  0.165562D+01  0.147191D+01 -0.907577D-01
      2  -0.127411D+01  0.664943D+00 -0.124165D+01  0.252079D+01 -0.422115D+00
      3  -0.421662D+01  0.424042D+01  0.861752D+00  0.344971D+01  0.301965D+01
               111           112           113           114           115 
      1   0.210125D+01 -0.157361D+01  0.726802D+01 -0.126043D+01 -0.127885D+01
      2   0.133030D+01  0.389959D+00  0.310594D+01 -0.219921D+01 -0.490751D+01
      3  -0.107630D+01  0.117734D+02 -0.139556D+02 -0.319388D+01 -0.320061D+01
               116           117           118           119           120 
      1   0.285492D+01 -0.132450D+02 -0.377528D+00  0.161667D+00  0.578632D+00
      2   0.219071D+01 -0.175661D+02 -0.969948D+00 -0.337046D+00  0.177276D+01
      3  -0.393235D+01 -0.202869D+01  0.584972D+00 -0.529752D-01  0.863747D+00
               121           122           123           124           125 
      1  -0.531645D-01 -0.106748D+01 -0.649387D+00  0.371335D+00  0.347660D+01
      2   0.447295D-01 -0.128243D+01  0.159144D-02 -0.384153D+01 -0.531391D+00
      3   0.209568D+01 -0.100241D+01  0.139553D+01  0.212322D+01  0.233580D+01
               126           127           128           129           130 
      1  -0.400113D+01 -0.180035D+00 -0.618374D+00 -0.156866D+01  0.184085D+00
      2  -0.106023D+02 -0.277703D+00 -0.146143D+01  0.571236D+01  0.615085D+00
      3  -0.323942D+00  0.605361D+01 -0.614534D+01  0.839115D+00  0.639883D+01
               131           132           133           134           135 
      1  -0.137136D+00 -0.279005D+01  0.233144D+01  0.544682D+01 -0.147592D+02
      2   0.985496D+00 -0.124673D+01 -0.132160D+01 -0.362125D+01  0.122159D+02
      3  -0.571576D+01 -0.634094D+00  0.391142D+00 -0.113726D+01  0.259888D+01
               136           137           138           139           140 
      1  -0.138481D+01  0.971797D-01 -0.433546D+00  0.748239D+00 -0.130500D+01
      2   0.201391D+01  0.507688D-02  0.943470D+00  0.213995D+00  0.101412D+01
      3  -0.646774D+00 -0.135071D+01  0.179359D+01  0.765224D+00  0.976991D+00
               141           142           143           144           145 
      1  -0.652858D+00 -0.574621D+00  0.302418D+01 -0.923492D+01  0.329524D+01
      2  -0.108009D+00 -0.345304D+01  0.123234D+01  0.120037D+02  0.332150D+01
      3  -0.143736D+01  0.329110D+01 -0.179551D+01  0.749821D+00 -0.160990D+02
               146           147           148           149           150 
      1  -0.143153D+01  0.356589D+01 -0.114773D+01  0.140021D+01 -0.185045D+01
      2  -0.191549D+01  0.270894D+01 -0.133174D+01  0.115996D+01 -0.142523D+01
      3   0.266688D+01 -0.201481D+01  0.492347D+01 -0.280802D+01  0.170354D+00
               151           152           153           154           155 
      1   0.233784D+01 -0.112108D+01  0.570420D+00  0.151585D+01  0.884329D+00
      2   0.842938D+00 -0.137511D+01  0.600485D+00 -0.264610D+01 -0.138746D+01
      3  -0.402262D+01  0.344485D+00 -0.118106D+01 -0.105796D+02 -0.986160D+01
               156           157           158           159           160 
      1  -0.424977D+00  0.129026D+01  0.884199D+00 -0.392800D+00 -0.342284D+00
      2   0.387058D+01 -0.173835D+01 -0.178830D+01  0.283028D+01  0.201983D+01
      3   0.186826D+00 -0.783152D+01 -0.132147D+02  0.956988D+00  0.761889D+00
               161           162           163           164           165 
      1   0.909941D+00  0.408787D+00 -0.504500D+00  0.537162D+00  0.237515D+00
      2   0.102560D+01  0.921342D-01  0.520734D+00 -0.152984D+00 -0.242367D+00
      3   0.236922D+01 -0.819649D+00 -0.479494D+01  0.446515D+01  0.904108D+00
               166           167           168           169           170 
      1   0.453708D+00 -0.314861D+01 -0.369789D+01 -0.374062D+00 -0.161000D+01
      2  -0.445234D+00  0.705646D+00  0.164381D+01 -0.901808D+00  0.140472D+01
      3   0.717973D+01 -0.189871D+02 -0.180429D+01  0.215085D+01 -0.344766D+01
               171           172           173           174           175 
      1  -0.525488D+00 -0.104533D+01 -0.836495D+00 -0.173984D+01  0.109472D+01
      2   0.629890D-01 -0.399072D+01 -0.888397D+00  0.734502D+01  0.591037D+00
      3  -0.117828D+01 -0.906026D+01 -0.125453D+02  0.149856D+01 -0.824616D+01
               176           177           178           179           180 
      1   0.194549D+01 -0.345482D+01  0.219965D+01  0.394434D+01  0.335346D+00
      2  -0.145377D+01 -0.180672D+01  0.195350D+01 -0.998583D-01 -0.357146D+01
      3   0.212017D+02  0.894683D+00  0.190264D+01  0.376840D+01 -0.183722D+01
               181           182           183           184           185 
      1  -0.146859D+01  0.476813D+00  0.701716D+00  0.899429D+00 -0.506290D+01
      2  -0.137862D+01  0.529324D+00  0.138501D+01  0.447705D+00 -0.196038D+01
      3   0.207682D+01 -0.870911D+00  0.663677D+00  0.688954D+00  0.202729D+02
               186           187           188           189           190 
      1  -0.444291D+01  0.989236D+00 -0.167973D+01 -0.355915D+00  0.201576D+01
      2  -0.266188D+01  0.484743D+00 -0.296629D+01  0.251063D+00  0.362773D+01
      3   0.188521D+01  0.182253D+01  0.325366D+01  0.237926D+01 -0.579827D-01
               191           192           193           194           195 
      1  -0.104909D+00 -0.291156D-01 -0.204768D+00  0.108194D+01  0.636891D+00
      2  -0.151779D+00 -0.503775D-01 -0.825179D+00  0.258429D+01  0.968061D+00
      3  -0.130085D+01 -0.151875D+01 -0.102358D+01  0.139266D+01 -0.207128D+01
               196           197           198           199           200 
      1   0.651327D+00  0.270886D+01  0.127756D+02  0.103913D+01  0.173691D-01
      2  -0.269109D+01 -0.234842D+01  0.212313D+02 -0.217745D+01 -0.925514D-01
      3  -0.237885D+01 -0.325961D+01  0.233157D+01 -0.242984D+00  0.185342D+00
               201           202           203           204           205 
      1   0.943237D+00  0.512401D+00  0.254795D+01 -0.329878D+01 -0.319737D+01
      2  -0.714625D+00 -0.732842D+00 -0.233847D+01  0.301112D+01  0.132813D+00
      3  -0.118981D+01  0.476353D+00 -0.207361D+01  0.154551D+01 -0.304880D+01
               206           207           208           209           210 
      1  -0.444755D+01  0.165795D+02 -0.314658D+00  0.231456D+00 -0.720352D+00
      2   0.613076D+01 -0.141101D+02  0.879993D-01  0.197522D+00  0.513879D+00
      3   0.393525D+01 -0.317947D+01 -0.457403D+01  0.349059D+01  0.257451D+00
               211           212           213           214           215 
      1   0.186673D-01 -0.356920D+01  0.200229D+00 -0.647320D+00  0.895428D+00
      2  -0.404788D+00 -0.668791D+00  0.432258D+01  0.125572D+00  0.161581D+01
      3   0.522776D+01 -0.294590D+02  0.618842D+00  0.978538D+00 -0.136457D+01
               216 
      1  -0.239587D-01
      2  -0.104255D+01
      3  -0.109375D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.213845D+01 -0.684288D+01 -0.747382D-01 -0.531440D+01  0.102162D+02
      2   0.178951D+01  0.928569D+01 -0.525459D+00  0.639979D+01 -0.203635D+02
      3  -0.392796D+01 -0.244281D+01  0.600197D+00 -0.108539D+01  0.101473D+02
      4  -0.380618D+01 -0.113419D+01 -0.474450D+00 -0.799962D+01  0.873394D+01
      5   0.116544D+01 -0.903999D+00  0.766931D-01 -0.269410D+01  0.143478D+01
      6   0.848564D+00  0.132620D+01  0.929358D+00  0.235211D+01 -0.579938D+01
                 6             7             8             9            10 
      1   0.188888D+01  0.168678D+01  0.423537D+01  0.779794D+01 -0.170685D+02
      2  -0.994182D+00 -0.263835D+00 -0.987679D+01  0.379905D+01  0.794939D+01
      3  -0.894703D+00 -0.142295D+01  0.564142D+01 -0.115970D+02  0.911910D+01
      4   0.200813D+01 -0.208133D+01  0.345814D+01 -0.637631D-01  0.944612D+01
      5   0.641883D+00  0.203750D+01  0.115974D+01 -0.111443D+02 -0.612238D+01
      6  -0.684045D+01 -0.312934D+00 -0.175357D+01  0.210719D+02  0.365027D+00
                11            12            13            14            15 
      1   0.412779D+01 -0.862681D+00  0.993490D+01  0.623381D+01  0.129519D+01
      2  -0.833733D+00  0.303740D+01 -0.622628D+01 -0.148588D+01 -0.177270D+01
      3  -0.329406D+01 -0.217472D+01 -0.370861D+01 -0.474793D+01  0.477513D+00
      4  -0.309689D+01  0.963918D+00  0.544905D+01 -0.541415D+01 -0.168421D+01
      5   0.906706D+00 -0.333562D+01  0.290001D+01 -0.408587D+00 -0.329380D+01
      6  -0.193830D+01  0.211951D+01 -0.110399D+01  0.269271D+00  0.633790D+00
                16            17            18            19            20 
      1  -0.102189D+02  0.173064D+01  0.569945D+01 -0.660942D+01  0.718691D+00
      2   0.355647D+01 -0.177714D+01  0.679164D+01  0.537312D+00 -0.591125D+01
      3   0.666241D+01  0.464989D-01 -0.124911D+02  0.607211D+01  0.519256D+01
      4   0.547776D+01 -0.295979D+01 -0.254639D+01 -0.555803D+01 -0.850953D+01
      5  -0.111535D+01 -0.221055D+01  0.307964D+02  0.268924D+01  0.125557D+01
      6   0.227067D+00  0.481774D+00  0.124265D+01 -0.290402D+00  0.145343D+01
                21            22            23            24            25 
      1  -0.703796D+00 -0.638583D+01 -0.430957D+01 -0.134026D+01  0.220935D+01
      2  -0.176304D+01  0.617480D+00  0.387619D+01 -0.162360D-01  0.794065D+00
      3   0.246683D+01  0.576835D+01  0.433384D+00  0.135649D+01 -0.300342D+01
      4   0.472844D+00 -0.925791D+01 -0.226622D+01 -0.187548D+00  0.399412D+01
      5  -0.344358D+01  0.180140D+01  0.270064D+00 -0.961482D+00  0.426383D+00
      6  -0.164584D+01  0.334311D-01  0.238512D+01 -0.106579D+01 -0.115936D+00
                26            27            28            29            30 
      1   0.180579D+00  0.484680D+01 -0.911317D+01  0.939924D+01 -0.352097D+01
      2   0.160467D+01  0.911855D+01  0.349200D+01 -0.748547D+01  0.637013D+00
      3  -0.178525D+01 -0.139654D+02  0.562117D+01 -0.191376D+01  0.288395D+01
      4   0.345327D+01  0.128789D+01 -0.203771D+01 -0.721617D+01  0.267372D+01
      5   0.608272D+00 -0.108856D+02 -0.409388D+01  0.151190D+01 -0.797301D+01
      6   0.321501D+01 -0.128083D+02  0.399339D+01 -0.738266D+00  0.438864D+00
                31            32            33            34            35 
      1   0.669647D+01  0.387539D+01 -0.333335D+01 -0.212538D+01  0.149951D+00
      2  -0.455928D+01 -0.389977D+01  0.125244D+00 -0.145987D+01  0.104285D+01
      3  -0.213719D+01  0.243776D-01  0.320811D+01  0.358525D+01 -0.119280D+01
      4  -0.711033D+01 -0.138422D+02 -0.111046D+01  0.133620D+01 -0.206821D+01
      5   0.246848D+00 -0.413131D+00 -0.443089D+01 -0.249538D+01  0.349323D+00
      6  -0.445216D+00  0.182938D+01 -0.182454D+01  0.733571D+00 -0.103552D+00
                36            37            38            39            40 
      1   0.552198D+01  0.159101D+01 -0.209071D+01 -0.117462D+01  0.746121D+00
      2   0.575951D+01  0.846353D+00  0.220961D+01 -0.267965D+00  0.300685D+00
      3  -0.112815D+02 -0.243736D+01 -0.118893D+00  0.144259D+01 -0.104681D+01
      4   0.623427D+00 -0.175694D+01  0.157803D+02 -0.177551D+01  0.136863D+02
      5   0.240064D+02  0.138441D+01 -0.288880D+00  0.170459D+02 -0.155397D+01
      6  -0.101207D+02 -0.188617D+01  0.169922D+01  0.232902D+01 -0.523911D+00
                41            42            43            44            45 
      1  -0.144455D+02  0.370264D+01  0.801090D+00  0.271720D+01 -0.553420D+01
      2   0.196151D+02 -0.127640D+01 -0.184002D+01 -0.313442D+01 -0.440636D+00
      3  -0.516958D+01 -0.242624D+01  0.103893D+01  0.417225D+00  0.597483D+01
      4   0.305447D+01 -0.471081D+00 -0.644455D+01 -0.398749D-01 -0.160207D+01
      5  -0.872732D+00  0.177752D+01  0.449775D+01 -0.477997D+00  0.219838D+01
      6  -0.362429D+01  0.480380D+01 -0.103490D+01  0.621036D+01  0.119848D+01
                46            47            48            49            50 
      1  -0.952797D+01  0.370481D+01  0.419332D+01 -0.867051D+01 -0.249643D+01
      2   0.493727D+01 -0.854809D+01 -0.144811D+01  0.438582D+00 -0.489991D+01
      3   0.459069D+01  0.484329D+01 -0.274521D+01  0.823193D+01  0.739634D+01
      4   0.234917D+01 -0.191482D+02 -0.134495D+01 -0.171539D+02 -0.368418D+01
      5   0.468523D+00 -0.873606D+00 -0.931276D+01  0.181781D+01  0.747265D+00
      6  -0.579649D+00 -0.253841D+01 -0.206149D+01  0.568200D+00  0.153468D+01
                51            52            53            54            55 
      1  -0.106380D+01  0.459918D+01 -0.809570D+00  0.823544D+01 -0.428121D+01
      2  -0.896413D+00  0.746702D+00  0.602232D+01  0.791660D+01 -0.342620D+01
      3   0.196021D+01 -0.534588D+01 -0.521275D+01 -0.161520D+02  0.770742D+01
      4   0.147565D+01  0.193616D+01  0.185767D+01  0.224116D+01  0.223488D+02
      5   0.439620D+01 -0.149811D+01  0.212603D+00 -0.267818D+02 -0.220789D+01
      6  -0.785866D+00  0.779688D+00  0.509752D+00 -0.235371D+02  0.646426D+01
                56            57            58            59            60 
      1   0.806558D+00 -0.248929D+01  0.328497D+01 -0.309370D+02 -0.567781D+01
      2   0.495026D+01  0.581255D+00 -0.151073D+01  0.465046D+02  0.490536D+01
      3  -0.575682D+01  0.190803D+01 -0.177423D+01 -0.155676D+02  0.772452D+00
      4  -0.608120D+01  0.534504D+01  0.228131D+01 -0.136416D+02 -0.386803D+01
      5   0.961114D+00  0.349030D+01  0.151638D+01 -0.284371D+01 -0.138456D+01
      6  -0.180032D+01  0.179245D+01 -0.259220D+01  0.106856D+02  0.110327D+02
                61            62            63            64            65 
      1  -0.162068D+01 -0.937108D+01 -0.835178D+01 -0.190398D+00  0.593354D+00
      2  -0.217692D+01  0.154937D+02  0.441363D+01 -0.312518D+01 -0.771826D+00
      3   0.379761D+01 -0.612260D+01  0.393815D+01  0.331558D+01  0.178472D+00
      4   0.104695D+02 -0.995131D+01 -0.178784D+01  0.830747D+00  0.214711D+01
      5   0.317034D+01 -0.356578D+01 -0.231686D+01  0.117289D+01 -0.961568D+00
      6  -0.811184D-01  0.135950D+02  0.640373D+01 -0.305087D+01 -0.522290D+00
                66            67            68            69            70 
      1   0.162622D+01  0.559601D+00 -0.421332D+01  0.276584D+01  0.192217D+01
      2  -0.591980D+00 -0.797807D+00  0.282807D+01 -0.358482D+01 -0.531250D+00
      3  -0.103424D+01  0.238207D+00  0.138525D+01  0.818982D+00 -0.139092D+01
      4  -0.253805D+01  0.202579D+01 -0.133361D+01  0.143643D+01 -0.340690D+01
      5   0.612009D+01  0.358269D-01  0.123369D+01 -0.162310D+00  0.337309D+01
      6   0.870663D+00 -0.575776D-01 -0.365223D+01  0.645425D+01 -0.270100D+00
                71            72            73            74            75 
      1   0.477629D+01 -0.153758D+02  0.214666D+02 -0.209128D+02  0.447729D+01
      2  -0.450597D+01 -0.118340D+02 -0.118372D+02  0.107476D+02 -0.527512D+01
      3  -0.270317D+00  0.272099D+02 -0.962935D+01  0.101652D+02  0.797830D+00
      4   0.288619D+01 -0.471701D+00 -0.267683D+02  0.490962D+01 -0.654830D+00
      5  -0.115787D+01  0.102585D+02  0.897513D+01 -0.307344D+00  0.757288D+01
      6   0.589232D+01 -0.223202D+02 -0.251608D+01  0.905587D+00 -0.260047D+01
                76            77            78            79            80 
      1  -0.411637D+02 -0.634864D+01 -0.645965D+00  0.173917D+02  0.454638D-01
      2   0.235225D+02  0.759657D+01  0.117002D+01 -0.110251D+02  0.158383D+00
      3   0.176412D+02 -0.124793D+01 -0.524052D+00 -0.636654D+01 -0.203847D+00
      4   0.492648D+01 -0.197500D+02  0.467046D+01 -0.352608D+01  0.686229D+01
      5  -0.316044D+01  0.503024D+01 -0.536473D+01  0.135316D+02 -0.420014D+01
      6   0.215553D+00 -0.182960D+01  0.497868D+01 -0.250855D+01  0.400428D+01
                81            82            83            84            85 
      1   0.371312D+01  0.261359D+01 -0.936646D+00 -0.461027D+01 -0.705800D+00
      2  -0.671411D+01 -0.421931D+01  0.341192D+00  0.278558D+01  0.299918D+00
      3   0.300098D+01  0.160572D+01  0.595455D+00  0.182469D+01  0.405882D+00
      4  -0.451231D+01 -0.106542D+01  0.967381D+00  0.298799D+00  0.126992D+01
      5   0.566729D+01 -0.454627D+01 -0.220575D+00  0.648604D+01 -0.445680D+00
      6  -0.123328D+01  0.277361D+00  0.751769D-01  0.193685D+00 -0.118079D+01
                86            87            88            89            90 
      1  -0.365929D+01  0.442031D+00 -0.668596D+01  0.159582D+00 -0.131731D+02
      2   0.237084D+00  0.793215D+00  0.563975D+01  0.573930D+00 -0.148778D+02
      3   0.342221D+01 -0.123525D+01  0.104621D+01 -0.733512D+00  0.280509D+02
      4   0.165707D+01 -0.432891D+01  0.118494D+00 -0.492234D+01  0.123232D+01
      5  -0.436261D+01  0.223201D+01  0.675416D+01  0.153078D+01 -0.298843D+02
      6  -0.145197D+00  0.741539D+01 -0.115368D+00  0.405483D+01  0.127645D+01
                91            92            93            94            95 
      1   0.212332D+00 -0.386759D+00  0.204767D+01 -0.506502D+00 -0.205659D+01
      2  -0.279926D+01  0.718754D+00 -0.512611D+00  0.623484D+00 -0.100759D+01
      3   0.258693D+01 -0.331995D+00 -0.153506D+01 -0.116982D+00  0.306418D+01
      4  -0.132556D+00  0.212064D+01  0.152268D+01  0.276673D+01  0.144779D+00
      5   0.168920D+01  0.131403D+00  0.532852D+01 -0.190303D+00  0.132291D+01
      6   0.172774D+01 -0.184671D+00 -0.635919D+00  0.270181D+00  0.140743D+01
                96            97            98            99           100 
      1  -0.565408D+00  0.226697D+01 -0.208165D+01 -0.153430D+02  0.236573D+02
      2   0.224998D+01 -0.171807D+01  0.302460D+01 -0.147280D+02 -0.943741D+01
      3  -0.168458D+01 -0.548897D+00 -0.942956D+00  0.300710D+02 -0.142199D+02
      4   0.162911D+01  0.244205D+01  0.276171D+01  0.191825D+00  0.206561D+02
      5  -0.742160D+00  0.450070D+01  0.296241D+00  0.112254D+02 -0.362109D+01
      6   0.595379D+01  0.525048D+00  0.386167D+01  0.131326D+02 -0.252574D+01
               101           102           103           104           105 
      1  -0.503541D+01 -0.198747D+01 -0.750896D+00  0.170172D+02  0.396168D+01
      2   0.130801D+02  0.300069D+01  0.550727D+01 -0.184983D+02 -0.401426D+01
      3  -0.804472D+01 -0.101322D+01 -0.475637D+01  0.148112D+01  0.525776D-01
      4   0.217272D+02 -0.174683D+01  0.168013D+02 -0.175621D+01 -0.265606D+01
      5  -0.264409D+00  0.870499D+01 -0.546118D+00 -0.420998D+01  0.144031D+01
      6   0.340926D-01  0.330833D+01  0.125206D+00 -0.582338D+01  0.499059D+01
               106           107           108           109           110 
      1  -0.525642D+01  0.509479D+01  0.400682D+00 -0.101023D+02 -0.102422D+02
      2   0.205138D+01 -0.865339D+01 -0.313273D+01  0.806670D+01  0.448199D+01
      3   0.320504D+01  0.355860D+01  0.273205D+01  0.203563D+01  0.576017D+01
      4  -0.614957D+01 -0.778798D+01  0.405527D+01 -0.121363D+02  0.137369D+01
      5   0.810694D+01  0.247600D+01 -0.215482D+01  0.115874D+02 -0.240416D+01
      6   0.506589D+01  0.491616D+01 -0.311127D+01 -0.660695D+01  0.401327D+01
               111           112           113           114           115 
      1   0.261885D+01 -0.248588D+02  0.109794D+02  0.210877D+01  0.185886D+02
      2  -0.472962D+01  0.190299D+02 -0.279894D+02 -0.610210D+01 -0.833144D+01
      3   0.211077D+01  0.582895D+01  0.170100D+02  0.399333D+01 -0.102572D+02
      4  -0.497712D+01 -0.584740D+01  0.320756D+02  0.521095D+01 -0.158955D+01
      5  -0.116196D+01  0.156647D+01  0.525287D+01 -0.425117D+01 -0.189839D+01
      6  -0.393187D+01  0.404330D+00 -0.343582D+01  0.843386D-01  0.717013D+00
               116           117           118           119           120 
      1   0.166390D+01  0.138017D+02  0.233257D+01 -0.169932D+01 -0.195476D+01
      2  -0.458515D+01  0.682366D+01 -0.373580D+01  0.977493D+00  0.156449D+01
      3   0.292125D+01 -0.206253D+02  0.140323D+01  0.721828D+00  0.390273D+00
      4   0.737858D+01  0.446746D+01 -0.224103D+01  0.241999D+01  0.105301D+01
      5   0.407434D+01 -0.372349D+02 -0.287994D+01 -0.105051D+00  0.766520D+01
      6  -0.206821D+01  0.165236D+02  0.112603D+01  0.636325D-01 -0.687660D+00
               121           122           123           124           125 
      1  -0.134261D+01 -0.366912D+01 -0.676857D+00 -0.460973D+01 -0.115689D+01
      2   0.399800D+00  0.973624D+00  0.140032D+01  0.591878D+01  0.774342D+00
      3   0.942808D+00  0.269550D+01 -0.723460D+00 -0.130904D+01  0.382551D+00
      4   0.285228D+01  0.467328D+00 -0.197971D+01  0.305412D+01 -0.251255D+01
      5  -0.643678D-02 -0.281993D+01  0.635804D+00  0.644310D+01 -0.117578D+01
      6  -0.549629D+00  0.155404D+01  0.678128D+01 -0.123135D+01  0.458982D+01
               126           127           128           129           130 
      1  -0.154015D+02  0.170023D+02  0.144222D+01  0.524019D+00  0.566066D+01
      2  -0.129465D+02 -0.424386D+00  0.986375D+01  0.498814D+00  0.607534D+01
      3   0.283480D+02 -0.165779D+02 -0.113060D+02 -0.102283D+01 -0.117360D+02
      4  -0.133973D+01  0.240354D+02  0.277014D+02 -0.918438D-01  0.267572D+02
      5  -0.203546D+02 -0.170108D+01 -0.577542D+00  0.771172D+01  0.385318D+00
      6   0.101645D+02 -0.542654D-01 -0.893594D+00  0.380377D+01  0.115024D+01
               131           132           133           134           135 
      1  -0.630908D+01 -0.146583D+01 -0.744247D+00 -0.446056D+01  0.636980D+01
      2   0.265405D+02  0.234017D+01  0.144419D+01  0.414678D+01 -0.281459D+01
      3  -0.202314D+02 -0.874348D+00 -0.699942D+00  0.313786D+00 -0.355520D+01
      4   0.296229D+02  0.232125D+01  0.463136D+01  0.714101D+01 -0.321693D+01
      5   0.175918D+01 -0.121007D+01  0.370113D+01 -0.360079D+01  0.208468D+02
      6   0.203685D+01  0.277546D+01 -0.229358D-01 -0.215782D+01  0.254904D+02
               136           137           138           139           140 
      1   0.108560D+00  0.549636D+00  0.334711D+01 -0.320232D+00 -0.313870D+01
      2  -0.267255D+01 -0.269560D-01 -0.149528D+01  0.116561D+01  0.129401D+01
      3   0.256399D+01 -0.522680D+00 -0.185183D+01 -0.845382D+00  0.184469D+01
      4   0.134959D+01  0.400954D+01  0.301743D+01  0.403198D+01  0.158976D+01
      5   0.376920D+01  0.720161D+00  0.734299D+01 -0.350572D+00  0.248146D+01
      6   0.342022D+01 -0.156649D+00  0.699422D+00  0.793066D-01  0.338024D+01
               141           142           143           144           145 
      1  -0.180906D+01  0.249737D+01 -0.403414D+01 -0.167120D+02  0.107781D+02
      2   0.336684D+01 -0.319607D+01  0.234776D+01 -0.131161D+02  0.593587D+01
      3  -0.155778D+01  0.698701D+00  0.168637D+01  0.298281D+02 -0.167140D+02
      4   0.199434D+01  0.552416D+01  0.530834D+01  0.293409D+01 -0.332726D+02
      5  -0.375597D+00  0.731611D+01  0.334310D+01  0.227483D+02  0.510580D-01
      6   0.690639D+01  0.288525D+01  0.743096D+01  0.230077D+02 -0.325886D+01
               146           147           148           149           150 
      1   0.429052D+00  0.193018D+01 -0.667269D+00 -0.247840D+01  0.198970D+00
      2  -0.136729D+02  0.330066D+00 -0.715300D+01  0.121080D+02 -0.144982D+01
      3   0.132438D+02 -0.226025D+01  0.782027D+01 -0.962964D+01  0.125085D+01
      4   0.244627D+02 -0.293505D+01  0.160385D+02 -0.139062D+02  0.164176D+01
      5   0.358983D+00  0.313539D+01  0.221664D+00  0.523148D+00 -0.199779D+01
      6   0.641772D+00 -0.536756D+01  0.104565D+01 -0.115399D+01  0.321191D+01
               151           152           153           154           155 
      1   0.161913D+01  0.115344D+01 -0.316513D+00  0.481085D+02  0.152620D+02
      2   0.139957D+01 -0.395165D+01  0.932934D+00 -0.264031D+02 -0.866349D+01
      3  -0.301870D+01  0.279821D+01 -0.616421D+00 -0.217054D+02 -0.659849D+01
      4  -0.681624D+01  0.494096D+01 -0.493784D+01  0.122888D+02  0.124990D+02
      5   0.408978D+01 -0.253618D+01  0.947653D+00  0.804791D+00 -0.127690D-01
      6  -0.458415D+01  0.495943D+01 -0.848682D+00  0.119617D+01  0.103534D+01
               156           157           158           159           160 
      1  -0.771082D+00  0.320170D+02  0.122512D+02  0.397360D+00 -0.591286D+01
      2  -0.186881D+00 -0.182636D+02 -0.543484D+01 -0.719680D+00  0.337306D+01
      3   0.957963D+00 -0.137534D+02 -0.681636D+01  0.322320D+00  0.253981D+01
      4  -0.311109D+00  0.135032D+02  0.138978D+02 -0.108843D+01 -0.109395D+01
      5   0.641256D+01  0.134248D+01 -0.116384D+01  0.415347D+01  0.786815D+01
      6   0.632028D-01  0.128646D+01  0.919449D+00  0.282853D+00  0.676944D+00
               161           162           163           164           165 
      1  -0.140459D+01  0.456244D+01 -0.135690D+01  0.581140D+01  0.676054D+00
      2   0.621998D+00 -0.405315D+01  0.277913D+01 -0.671186D+01 -0.697926D+00
      3   0.782589D+00 -0.509293D+00 -0.142223D+01  0.900462D+00  0.218715D-01
      4  -0.208012D+01  0.198023D+01 -0.524179D+00  0.540776D+00  0.539367D+00
      5   0.225241D+01  0.424086D+00  0.494449D+00 -0.285322D+00 -0.131438D+00
      6   0.134778D+01 -0.435253D+00  0.110498D+01 -0.352863D+00  0.303848D-01
               166           167           168           169           170 
      1   0.467355D+01 -0.268886D+02 -0.182550D+01  0.123930D+01 -0.441142D+01
      2  -0.515487D+00  0.444810D+02  0.315518D+01 -0.762870D+00  0.618794D+01
      3  -0.415807D+01 -0.175924D+02 -0.132969D+01 -0.476426D+00 -0.177652D+01
      4   0.758604D+01  0.245663D+02  0.143350D+01  0.126472D+01  0.379035D+01
      5  -0.205003D+00  0.253974D+01  0.310300D+01  0.137283D+01  0.273488D+01
      6  -0.157625D+00  0.339862D+01  0.522342D+01  0.774722D+00  0.688513D+01
               171           172           173           174           175 
      1  -0.377023D+01  0.720865D+02  0.221075D+01 -0.591982D+01  0.148514D+01
      2   0.370584D+01 -0.418239D+02 -0.546445D+00  0.676071D+01 -0.248678D+01
      3   0.643935D-01 -0.302626D+02 -0.166430D+01 -0.840891D+00  0.100164D+01
      4   0.260770D+01 -0.472042D+01  0.131890D+02  0.235667D+01  0.192050D+02
      5   0.203459D+00 -0.120087D+02  0.106951D+01  0.130796D+02  0.575318D+00
      6   0.128329D+01  0.313834D+01 -0.195795D+01  0.138174D+01 -0.121139D+01
               176           177           178           179           180 
      1   0.114998D+02  0.253821D+01 -0.198413D+02 -0.484744D+00  0.826429D+01
      2  -0.220201D+01  0.668108D+00  0.123251D+02 -0.410639D+00 -0.112036D+02
      3  -0.929777D+01 -0.320632D+01  0.751617D+01  0.895383D+00  0.293927D+01
      4  -0.276442D+02 -0.388794D+01  0.118249D+01 -0.501773D+01 -0.162455D+01
      5  -0.418276D+01 -0.325748D+01  0.195453D+02  0.344538D+00 -0.759312D+01
      6   0.149840D+01  0.679714D+01 -0.237893D+01  0.353199D+01  0.486832D-01
               181           182           183           184           185 
      1   0.311020D+01 -0.620367D+01 -0.272937D+01 -0.550662D+01 -0.180269D+02
      2   0.282206D+01  0.148590D+01  0.867489D+00 -0.421475D+01  0.429972D+02
      3  -0.593226D+01  0.471776D+01  0.186188D+01  0.972137D+01 -0.249703D+02
      4  -0.842980D+01  0.102605D+02  0.149318D+01  0.185480D+02 -0.477247D+02
      5  -0.251315D+01  0.421394D+00  0.235795D+01  0.274484D+00 -0.297482D+01
      6   0.161056D+01 -0.455139D+00 -0.813707D+00  0.212110D+00  0.177315D+01
               186           187           188           189           190 
      1  -0.155219D+01 -0.466438D+01 -0.279880D+01 -0.342747D+01  0.113278D+01
      2   0.386226D+01  0.117782D+01  0.609004D+01  0.309547D+01 -0.407676D+01
      3  -0.231008D+01  0.348656D+01 -0.329124D+01  0.332002D+00  0.294398D+01
      4  -0.343061D+01  0.405185D+01 -0.782684D+01 -0.643991D+01  0.603176D+00
      5  -0.527309D+01  0.354347D+01 -0.648294D+01  0.823464D+00  0.653232D+01
      6   0.614380D+01 -0.207896D+01  0.760848D+01  0.162374D+01 -0.209520D+01
               191           192           193           194           195 
      1   0.111817D+01  0.767143D+01  0.501474D+01 -0.417591D+01  0.103798D+01
      2  -0.107248D+01 -0.382531D+01 -0.378422D+01  0.308716D+01 -0.257515D+01
      3  -0.456898D-01 -0.384612D+01 -0.123053D+01  0.108876D+01  0.153717D+01
      4   0.148142D+01 -0.220734D+01  0.138793D+01 -0.431699D+01  0.456027D+01
      5  -0.673875D+00  0.590519D+01 -0.446459D-01  0.490617D+01  0.210219D+01
      6  -0.633243D+00  0.491921D+00  0.560009D+00 -0.193904D+01  0.455936D+01
               196           197           198           199           200 
      1   0.916650D+01  0.326183D+01 -0.187226D+02  0.182812D+01  0.280230D+01
      2  -0.701428D+01 -0.183839D+01 -0.135330D+02 -0.138591D+01 -0.163967D+01
      3  -0.215223D+01 -0.142344D+01  0.322556D+02 -0.442216D+00 -0.116263D+01
      4  -0.432633D+01  0.635435D+01 -0.617694D+01  0.267560D+01  0.181921D+01
      5   0.974323D+01 -0.611237D+01  0.446685D+02 -0.213654D+01 -0.668801D+00
      6  -0.259323D+01  0.762206D+01 -0.198790D+02 -0.226401D+01  0.995981D+00
               201           202           203           204           205 
      1  -0.369968D+01  0.635674D+00 -0.531469D+01  0.285277D+01 -0.412253D+01
      2   0.180295D+01  0.103004D+01  0.791898D+01 -0.476829D+01  0.120765D+01
      3   0.189673D+01 -0.166571D+01 -0.260429D+01  0.191553D+01  0.291487D+01
      4  -0.216654D+01  0.309394D+01  0.560027D+01 -0.370986D+01 -0.955442D+01
      5   0.765853D+00 -0.102267D+01 -0.339492D+01  0.461123D+01  0.653080D+01
      6  -0.196346D+01 -0.141407D+01 -0.598927D+01  0.778088D+01  0.573270D+01
               206           207           208           209           210 
      1   0.750160D+01 -0.110391D+02  0.189248D+01  0.690031D+01  0.916739D+00
      2  -0.862408D+01  0.246880D+01  0.306594D+00 -0.302116D+01 -0.312324D+00
      3   0.112248D+01  0.857033D+01 -0.219907D+01 -0.387914D+01 -0.604415D+00
      4  -0.122457D+02  0.107942D+02  0.701037D+01 -0.941176D-01 -0.279456D+00
      5   0.104582D+02 -0.244865D+02  0.694631D+00 -0.555261D+00  0.121789D+01
      6   0.152996D+02 -0.300143D+02 -0.144449D+00 -0.720039D-01  0.125566D+01
               211           212           213           214           215 
      1   0.247214D+02 -0.169132D+01 -0.205669D+01  0.204906D+01 -0.479581D+00
      2  -0.143725D+02  0.189518D+01  0.177812D+01 -0.107992D+01  0.445941D+00
      3  -0.103489D+02 -0.203862D+00  0.278570D+00 -0.969134D+00  0.336400D-01
      4  -0.984555D+00  0.350143D+02 -0.331254D+00 -0.494031D+00  0.121962D+01
      5  -0.246407D+01  0.145504D+00  0.761151D+01  0.431204D+01  0.282442D+01
      6   0.581369D+00 -0.104647D+01 -0.123171D+01  0.355019D+00  0.219586D+01
               216 
      1   0.124616D+01
      2  -0.213898D+01
      3   0.892821D+00
      4   0.230441D+01
      5  -0.233007D+01
      6   0.739258D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x         -0.113523D+01     -0.288546D+01     -0.962485D+01
   y          0.398650D+00      0.101327D+01      0.337990D+01
   z          0.537424D+00      0.136600D+01      0.455647D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.105979D+03      0.157044D+02      0.174735D+02
   yx         0.114144D+01      0.169144D+00      0.188198D+00
   yy         0.945386D+02      0.140092D+02      0.155873D+02
   zx        -0.254045D+00     -0.376456D-01     -0.418864D-01
   zy        -0.148329D+01     -0.219801D+00     -0.244561D+00
   zz         0.780443D+02      0.115650D+02      0.128678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100349D+03      0.148702D+02      0.165454D+02
   aniso      0.253513D+02      0.375667D+01      0.417986D+01
   xx         0.113857D+03      0.168719D+02      0.187725D+02
   yx         0.114445D+01      0.169590D+00      0.188694D+00
   yy         0.102129D+03      0.151340D+02      0.168388D+02
   zx        -0.352251D+00     -0.521982D-01     -0.580783D-01
   zy        -0.176642D+01     -0.261757D+00     -0.291244D+00
   zz         0.850614D+02      0.126048D+02      0.140247D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.46931091          2.02747399          1.58195940
     6         -1.10579135         -0.40903642          2.94755119
     6          1.40243364          1.49971992         -0.52409182
     6          0.38182666         -0.55958918         -2.27834944
     8         -0.14788523         -2.77139472         -0.82398702
     6         -2.00752676         -2.39563240          1.05196742
     8          0.64666279          3.85330801          3.20653699
     1         -2.20909908          2.79314114          0.75012765
     8         -2.99412884          0.14617922          4.76506721
     1          0.61021455         -1.13229358          3.86791735
     1          3.16961158          0.81670938          0.32022244
     8          1.87591637          3.71579653         -1.97213244
     6          2.25393390         -1.31475292         -4.33387510
     1         -1.35359492          0.12154548         -3.18874467
     8         -2.49853466         -4.70414972          2.23212530
     1         -3.80018472         -1.79511092          0.20201081
     1         -0.50218887          4.15209055          4.58974911
     1         -3.55491245         -1.42930919          5.49312600
     1          2.27338563          5.05958025         -0.80386280
     8          2.50367489          0.56289923         -6.21628078
     1          1.55472097         -3.01685517         -5.25979082
     1          4.07806013         -1.77192234         -3.45511516
     1         -0.89240978         -5.46431830          2.65743091
     1          2.80733791          2.15654477         -5.37469792

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.131776D+01      0.334940D+01      0.111724D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.843748D+02      0.125031D+02      0.139115D+02
   yx         0.472793D+01      0.700607D+00      0.779531D+00
   yy         0.946838D+02      0.140307D+02      0.156112D+02
   zx        -0.108329D+02     -0.160527D+01     -0.178610D+01
   zy        -0.116012D+01     -0.171912D+00     -0.191278D+00
   zz         0.995029D+02      0.147448D+02      0.164058D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100349D+03      0.148702D+02      0.165454D+02
   aniso      0.253513D+02      0.375667D+01      0.417986D+01
   xx         0.914344D+02      0.135492D+02      0.150755D+02
   yx         0.469020D+01      0.695017D+00      0.773310D+00
   yy         0.102404D+03      0.151747D+02      0.168841D+02
   zx        -0.111930D+02     -0.165863D+01     -0.184547D+01
   zy        -0.125264D+01     -0.185623D+00     -0.206533D+00
   zz         0.107209D+03      0.158868D+02      0.176764D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F07-30\Freq\RB3LYP\Gen\C6H12O6\PIERPA\12-Aug-2021\0\\#P B
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 105.9785683,1.1414391,94.538568,-0.2540451,-1.4832899,78.0443162\Quadr
 upole=-4.4671977,1.3236227,3.143575,2.0777669,-0.2025556,-2.2986577\PG
 =C01 [X(C6H12O6)]\NImag=0\\0.51431522,-0.00474028,0.48201985,0.0118179
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 00574431,0.00433600,0.00113330,0.00676677,0.58967673,-0.00150421,0.030
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 THE REAL VOYAGE OF DISCOVERY CONSISTS NOT IN SEEKING NEW LANDSCAPES 
 BUT IN HAVING NEW EYES.
                                                    -- MARCEL PROUST
 Job cpu time:       0 days  6 hours 25 minutes  5.7 seconds.
 Elapsed time:       0 days  0 hours 48 minutes 10.1 seconds.
 File lengths (MBytes):  RWF=    411 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:58:29 2021.
